3-(3-methylphenyl)-2-(3-naphthalen-1-yl-2,1-benzoxazol-5-yl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 3-(3-methylphenyl)-2-(3-naphthalen-1-yl-2,1-benzoxazol-5-yl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(m-tolyl)-2-[3-(1-naphthyl)-2,1-benzoxazol-5-yl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-3-(3-methylphenyl)-2-[3-(1-naphthalenyl)-2,1-benzoxazol-5-yl]-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(3-methylphenyl)-2-(3-naphthalen-1-yl-2,1-benzoxazol-5-yl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-3-(m-tolyl)-2-[3-(1-naphthyl)anthranil-5-yl]-1,2-dihydropyrimidine-5-carbonitrile Formula: C29H20N4O2S MolecularWeight: 488.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC4=C(ON=C4C=C3)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC1=CC(=CC=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC4=C(ON=C4C=C3)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H20N4O2S/c1-17-6-4-9-20(14-17)33-27(31-28(34)24(16-30)29(33)36)19-12-13-25-23(15-19)26(35-32-25)22-11-5-8-18-7-2-3-10-21(18)22/h2-15,27,36H,1H3,(H,31,34)