(3S)-3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: (3S)-3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: (3S)-3-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C14H18N4OS2 MolecularWeight: 322.44892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=CN2CCC3=CC=CS3

Isomeric SMILES

C1CCNC(=O)[C@H](C1)SC2=NN=CN2CCC3=CC=CS3

InChI

InChI=1S/C14H18N4OS2/c19-13-12(5-1-2-7-15-13)21-14-17-16-10-18(14)8-6-11-4-3-9-20-11/h3-4,9-10,12H,1-2,5-8H2,(H,15,19)/t12-/m0/s1