4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: 4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 4-(5-benzylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 4-[5-(phenylmethylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-[2-(2-thienyl)ethyl]benzamide Formula: C22H19N3OS4 MolecularWeight: 469.66576

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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)NCCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)C(=O)NCCC4=CC=CS4

InChI

InChI=1S/C22H19N3OS4/c26-20(23-13-12-19-7-4-14-28-19)17-8-10-18(11-9-17)25-22(27)30-21(24-25)29-15-16-5-2-1-3-6-16/h1-11,14H,12-13,15H2,(H,23,26)