2-[4-oxidanylidene-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]methyl]quinazolin-3-yl]acetonitrile Formula: C24H21N5OS MolecularWeight: 427.52144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

C1CCC2=C(C1)N=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C24H21N5OS/c25-14-15-28-22(26-19-11-5-4-10-18(19)23(28)30)16-31-24-27-20-12-6-7-13-21(20)29(24)17-8-2-1-3-9-17/h1-5,8-11H,6-7,12-13,15-16H2