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

Systemtic Name: (5E)-1-(3,4-dimethylphenyl)-5-(1H-indol-3-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(3,4-dimethylphenyl)-5-(1H-indol-3-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(3,4-dimethylphenyl)-5-(1H-indol-3-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(3,4-dimethylphenyl)-5-(1H-indol-3-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(3,4-dimethylphenyl)-5-(1H-indol-3-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CNC4=CC=CC=C43)C(=O)NC2=S)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CNC4=CC=CC=C43)/C(=O)NC2=S)C

InChI

InChI=1S/C21H17N3O2S/c1-12-7-8-15(9-13(12)2)24-20(26)17(19(25)23-21(24)27)10-14-11-22-18-6-4-3-5-16(14)18/h3-11,22H,1-2H3,(H,23,25,27)/b17-10+