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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoate Openeye Name: (2-amino-2-oxo-ethyl) 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 (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 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 (2-amino-2-keto-ethyl) ester Formula: C18H15N3O3S3 MolecularWeight: 417.525

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O3S3/c19-15(22)10-24-16(23)13-6-8-14(9-7-13)21-18(25)27-17(20-21)26-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,19,22)