4-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile

Systemtic Name: 4-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile Openeye Name: 2-[(benzylamino)-hydroxy-methylene]-3-oxo-4-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-butanenitrile CAS Name: 2-[hydroxy-[(phenylmethyl)amino]methylidene]-4-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile IUPAC Name: 2-[(benzylamino)-hydroxymethylidene]-4-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 3-(benzylamino)-3-hydroxy-2-[2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]acetyl]acrylonitrile Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C(NCC4=CC=CC=C4)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C(NCC4=CC=CC=C4)O)C#N

InChI

InChI=1S/C27H22N4O3S/c1-18-11-13-20(14-12-18)31-26(34)21-9-5-6-10-23(21)30-27(31)35-17-24(32)22(15-28)25(33)29-16-19-7-3-2-4-8-19/h2-14,29,33H,16-17H2,1H3