4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid

Systemtic Name: 4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid Openeye Name: 4-(5-benzylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoic acid CAS Name: 4-[5-(phenylmethylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid IUPAC Name: 4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoic acid Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoic acid Formula: C16H12N2O2S3 MolecularWeight: 360.47368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H12N2O2S3/c19-14(20)12-6-8-13(9-7-12)18-16(21)23-15(17-18)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)