(2E)-2-(4-methoxyphenyl)-2-(2-sulfanylidene-1H-quinazolin-4-ylidene)ethanenitrile

Systemtic Name: (2E)-2-(4-methoxyphenyl)-2-(2-sulfanylidene-1H-quinazolin-4-ylidene)ethanenitrile Openeye Name: (2E)-2-(4-methoxyphenyl)-2-(2-thioxo-1H-quinazolin-4-ylidene)acetonitrile CAS Name: (2E)-2-(4-methoxyphenyl)-2-(2-sulfanylidene-1H-quinazolin-4-ylidene)acetonitrile IUPAC Name: (2E)-2-(4-methoxyphenyl)-2-(2-sulfanylidene-1H-quinazolin-4-ylidene)acetonitrile Traditional Name: (2E)-2-(4-methoxyphenyl)-2-(2-thioxo-1H-quinazolin-4-ylidene)acetonitrile Formula: C17H13N3OS MolecularWeight: 307.36962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C2C3=CC=CC=C3NC(=S)N2)C#N

Isomeric SMILES

COC1=CC=C(C=C1)/C(=C\2/C3=CC=CC=C3NC(=S)N2)/C#N

InChI

InChI=1S/C17H13N3OS/c1-21-12-8-6-11(7-9-12)14(10-18)16-13-4-2-3-5-15(13)19-17(22)20-16/h2-9H,1H3,(H2,19,20,22)/b16-14-