N-[(4-cyanophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-cyanophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-cyanophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-cyanophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-cyanobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)C#N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)C#N

InChI

InChI=1S/C17H12N4O2S/c18-8-10-1-3-11(4-2-10)9-19-15(22)12-5-6-13-14(7-12)20-17(24)21-16(13)23/h1-7H,9H2,(H,19,22)(H2,20,21,23,24)