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

Systemtic Name: 2-anthracen-9-yl-3-naphthalen-1-yl-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(9-anthryl)-3-(1-naphthyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(9-anthracenyl)-4-mercapto-3-(1-naphthalenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-anthracen-9-yl-3-naphthalen-1-yl-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(9-anthryl)-6-keto-4-mercapto-3-(1-naphthyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C29H19N3OS MolecularWeight: 457.54566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(NC(=O)C(=C3S)C#N)C4=C5C=CC=CC5=CC6=CC=CC=C64

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(NC(=O)C(=C3S)C#N)C4=C5C=CC=CC5=CC6=CC=CC=C64

InChI

InChI=1S/C29H19N3OS/c30-17-24-28(33)31-27(32(29(24)34)25-15-7-11-18-8-1-4-12-21(18)25)26-22-13-5-2-9-19(22)16-20-10-3-6-14-23(20)26/h1-16,27,34H,(H,31,33)