SpectraBase Spectrum ID |
IaUBAI1YlAN |
Name |
2-(1-Cyano-1-phenyl)methylidene-1-methyl-4-(methylthio)-4(1H)-quinazoline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
305.098668669 u |
Formula |
C18H15N3S |
InChI |
InChI=1S/C18H15N3S/c1-21-16-11-7-6-10-14(16)18(22-2)20-17(21)15(12-19)13-8-4-3-5-9-13/h3-11H,1-2H3/b17-15+ |
InChIKey |
FQGJWWFURNDKFO-BMRADRMJSA-N |
Molecular Weight |
305.399 g/mol |
SMILES |
C1(=N\C(N(C=2C1=CC=CC2)C)=C\(C#N)C1=CC=CC=C1)SC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923998 |