2-anthracen-9-yl-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-anthracen-9-yl-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(9-anthryl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(9-anthracenyl)-4-mercapto-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-anthracen-9-yl-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(9-anthryl)-6-keto-4-mercapto-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile Formula: C25H17N3OS MolecularWeight: 407.48698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H17N3OS/c26-15-21-24(29)27-23(28(25(21)30)18-10-2-1-3-11-18)22-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)22/h1-14,23,30H,(H,27,29)