N-[2-(phenylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[2-(phenylmethylthio)ethyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H18N4OS3 MolecularWeight: 390.54602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C17H18N4OS3/c22-15(18-8-10-23-11-13-5-2-1-3-6-13)12-25-17-19-16(20-21-17)14-7-4-9-24-14/h1-7,9H,8,10-12H2,(H,18,22)(H,19,20,21)