1-(3-methylphenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3-methylphenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(m-tolyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-methylphenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-methylphenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(m-tolyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=CN3)C(=O)NC2=S

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=CN3)C(=O)NC2=S

InChI

InChI=1S/C16H13N3O2S/c1-10-4-2-6-12(8-10)19-15(21)13(14(20)18-16(19)22)9-11-5-3-7-17-11/h2-9,17H,1H3,(H,18,20,22)