5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-(m-tolylmethyl)indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-[(3-methylphenyl)methyl]-3-indolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(3-methylbenzyl)indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)NC4=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)NC4=O

InChI

InChI=1S/C21H17N3O2S/c1-13-5-4-6-14(9-13)11-24-12-15(16-7-2-3-8-18(16)24)10-17-19(25)22-21(27)23-20(17)26/h2-10,12H,11H2,1H3,(H2,22,23,25,26,27)