4-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitro-benzamide Formula: C16H11ClN4O3S3 MolecularWeight: 438.93154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=S)SC(=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=S)SC(=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN4O3S3/c17-11-3-5-12(6-4-11)20-16(25)27-15(19-20)26-8-10-2-1-9(14(18)22)7-13(10)21(23)24/h1-7H,8H2,(H2,18,22)