4-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile

Systemtic Name: 4-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile Openeye Name: 2-[(benzylamino)-hydroxy-methylene]-4-[3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 2-[hydroxy-[(phenylmethyl)amino]methylidene]-4-[[3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile IUPAC Name: 2-[(benzylamino)-hydroxymethylidene]-4-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 3-(benzylamino)-3-hydroxy-2-[2-[[4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]acetyl]acrylonitrile Formula: C28H24N4O4S MolecularWeight: 512.57956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N4O4S/c1-18-12-13-25(36-2)23(14-18)32-27(35)20-10-6-7-11-22(20)31-28(32)37-17-24(33)21(15-29)26(34)30-16-19-8-4-3-5-9-19/h3-14,30,34H,16-17H2,1-2H3