4-[(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(6-methyl-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzonitrile CAS Name: 4-[(6-methyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzonitrile IUPAC Name: 4-[(6-methyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzonitrile Traditional Name: 4-[(4-keto-6-methyl-2-thioxo-1H-quinazolin-3-yl)methyl]benzonitrile Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=S)N(C2=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=S)N(C2=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H13N3OS/c1-11-2-7-15-14(8-11)16(21)20(17(22)19-15)10-13-5-3-12(9-18)4-6-13/h2-8H,10H2,1H3,(H,19,22)