2-[4-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(Z)-(4-oxo-2-thioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetonitrile CAS Name: 2-[4-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(Z)-(4-keto-2-thioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetonitrile Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)N=CC3=CC=C(C=C3)OCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)/N=C\C3=CC=C(C=C3)OCC#N

InChI

InChI=1S/C17H12N4O2S/c18-9-10-23-13-7-5-12(6-8-13)11-19-21-16(22)14-3-1-2-4-15(14)20-17(21)24/h1-8,11H,10H2,(H,20,24)/b19-11-