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

Systemtic Name: 2-anthracen-9-yl-3-(3,4-dimethylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(9-anthryl)-3-(3,4-dimethylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(9-anthracenyl)-3-(3,4-dimethylphenyl)-4-mercapto-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-anthracen-9-yl-3-(3,4-dimethylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(9-anthryl)-3-(3,4-dimethylphenyl)-6-keto-4-mercapto-1,2-dihydropyrimidine-5-carbonitrile Formula: C27H21N3OS MolecularWeight: 435.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=C4C=CC=CC4=CC5=CC=CC=C53)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=C4C=CC=CC4=CC5=CC=CC=C53)C

InChI

InChI=1S/C27H21N3OS/c1-16-11-12-20(13-17(16)2)30-25(29-26(31)23(15-28)27(30)32)24-21-9-5-3-7-18(21)14-19-8-4-6-10-22(19)24/h3-14,25,32H,1-2H3,(H,29,31)