1-(4-methyl-3-nitro-phenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(4-methyl-3-nitro-phenyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(4-methyl-3-nitro-phenyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]ethanone Formula: C17H13N3O3S3 MolecularWeight: 403.49842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O3S3/c1-11-7-8-12(9-14(11)20(22)23)15(21)10-25-16-18-19(17(24)26-16)13-5-3-2-4-6-13/h2-9H,10H2,1H3