| SpectraBase Spectrum ID |
6USSh0rcWbo |
| Name |
3-(Cyanomethyl)-2-(benzylthio)-4-oxo-3,4-dihydroquinazoline |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H13N3OS |
| InChI |
InChI=1S/C17H13N3OS/c18-10-11-20-16(21)14-8-4-5-9-15(14)19-17(20)22-12-13-6-2-1-3-7-13/h1-9H,11-12H2 |
| InChIKey |
BFEOEVIXKZVMCB-UHFFFAOYSA-N |
| Molecular Weight |
307.371 g/mol |
| SMILES |
C=1(N(C(c2c(N1)cccc2)=O)CC#N)SCc1ccccc1 |
| SPLASH |
splash10-052f-8009000000-6d291b0a140d9fc2d726 |
| Source of Spectrum |
Y-38-420-4 |
| Synonyms |
2-[4-oxo-2-(phenylmethylthio)-3-quinazolinyl]acetonitrile
2-(2-benzylsulfanyl-4-oxoquinazolin-3-yl)acetonitrile
2-(2-benzylsulfanyl-4-oxo-quinazolin-3-yl)acetonitrile
2-[4-oxidanylidene-2-(phenylmethylsulfanyl)quinazolin-3-yl]ethanenitrile |
| Wiley ID |
848425 |
