N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]acetamide CAS Name: N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-(benzylthio)-N-[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]acetamide Formula: C16H21N3OS2 MolecularWeight: 335.48744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NN=C(S1)NC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CCCC(C)C1=NN=C(S1)NC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C16H21N3OS2/c1-3-7-12(2)15-18-19-16(22-15)17-14(20)11-21-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,19,20)