cyanomethyl 4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoate

Systemtic Name: cyanomethyl 4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoate Openeye Name: cyanomethyl 4-(5-benzylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoate CAS Name: 4-[5-(phenylmethylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoic acid cyanomethyl ester Formula: C18H13N3O2S3 MolecularWeight: 399.50972

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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)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O2S3/c19-10-11-23-16(22)14-6-8-15(9-7-14)21-18(24)26-17(20-21)25-12-13-4-2-1-3-5-13/h1-9H,11-12H2