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

Systemtic Name: 5-[[1-(4-methylphenyl)sulfonylindol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-(p-tolylsulfonyl)indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(4-methylphenyl)sulfonyl-3-indolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(4-methylphenyl)sulfonylindol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 2-thioxo-5-[(1-tosylindol-3-yl)methylene]hexahydropyrimidine-4,6-quinone Formula: C20H15N3O4S2 MolecularWeight: 425.4808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)NC4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)NC4=O

InChI

InChI=1S/C20H15N3O4S2/c1-12-6-8-14(9-7-12)29(26,27)23-11-13(15-4-2-3-5-17(15)23)10-16-18(24)21-20(28)22-19(16)25/h2-11H,1H3,(H2,21,22,24,25,28)