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

Systemtic Name: 5-(1H-indol-3-ylmethylidene)-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(1H-indol-3-ylmethylene)-1,3-bis(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(1H-indol-3-ylmethylidene)-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(1H-indol-3-ylmethylidene)-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(1H-indol-3-ylmethylene)-1,3-bis(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=CNC4=CC=CC=C43)C(=O)N(C2=S)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CC3=CNC4=CC=CC=C43)C(=O)N(C2=S)C5=CC=CC=C5C

InChI

InChI=1S/C27H21N3O2S/c1-17-9-3-7-13-23(17)29-25(31)21(15-19-16-28-22-12-6-5-11-20(19)22)26(32)30(27(29)33)24-14-8-4-10-18(24)2/h3-16,28H,1-2H3