3-(4-methylsulfanylphenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: 3-(4-methylsulfanylphenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: 3-(4-methylsulfanylphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: 3-[4-(methylthio)phenyl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: 3-(4-methylsulfanylphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: 2-(4-keto-1H-quinazolin-2-yl)-3-[4-(methylthio)phenyl]acrylonitrile Formula: C18H13N3OS MolecularWeight: 319.38032

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CSC1=CC=C(C=C1)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H13N3OS/c1-23-14-8-6-12(7-9-14)10-13(11-19)17-20-16-5-3-2-4-15(16)18(22)21-17/h2-10H,1H3,(H,20,21,22)