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2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide

View entire compound with spectra: 1 MS (GC)

2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
SpectraBase Compound ID KGcy65jTqAM
InChI InChI=1S/C17H16N6O3S/c1-22-16(11-5-7-12(18)8-6-11)20-21-17(22)27-10-15(24)19-13-3-2-4-14(9-13)23(25)26/h2-9H,10,18H2,1H3,(H,19,24)
InChIKey BUIZYWUZRRANGU-UHFFFAOYSA-N
Mol Weight 384.41 g/mol
Molecular Formula C17H16N6O3S
Exact Mass 384.10046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YGBzZAW5Y5
Name 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N6O3S
InChI InChI=1S/C17H16N6O3S/c1-22-16(11-5-7-12(18)8-6-11)20-21-17(22)27-10-15(24)19-13-3-2-4-14(9-13)23(25)26/h2-9H,10,18H2,1H3,(H,19,24)
InChIKey BUIZYWUZRRANGU-UHFFFAOYSA-N
Molecular Weight 384.414 g/mol
SMILES N(C(CSc1[n](c(-c2ccc(cc2)N)nn1)C)=O)c1cc(N(=O)=O)ccc1
SPLASH splash10-01b9-4960000000-d899aaf5e8b700813282
Synonyms 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide
Wiley ID 1453120