2-anthracen-9-yl-3-(2-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-anthracen-9-yl-3-(2-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(9-anthryl)-3-(o-tolyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(9-anthracenyl)-4-mercapto-3-(2-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-anthracen-9-yl-3-(2-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(9-anthryl)-6-keto-4-mercapto-3-(o-tolyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C26H19N3OS MolecularWeight: 421.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(NC(=O)C(=C2S)C#N)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

CC1=CC=CC=C1N2C(NC(=O)C(=C2S)C#N)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C26H19N3OS/c1-16-8-2-7-13-22(16)29-24(28-25(30)21(15-27)26(29)31)23-19-11-5-3-9-17(19)14-18-10-4-6-12-20(18)23/h2-14,24,31H,1H3,(H,28,30)