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

Systemtic Name: 1-(3,5-dimethylphenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3,5-dimethylphenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3,5-dimethylphenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3,5-dimethylphenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3,5-dimethylphenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H15N3O2S MolecularWeight: 325.3849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2S/c1-10-6-11(2)8-13(7-10)20-16(22)14(15(21)19-17(20)23)9-12-4-3-5-18-12/h3-9,18H,1-2H3,(H,19,21,23)