(3R)-3-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: (3R)-3-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: (3R)-3-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3R)-3-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3R)-3-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: (3R)-3-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C21H24N4OS2/c26-20-18(10-4-5-12-22-20)28-21-24-23-19(15-17-9-6-14-27-17)25(21)13-11-16-7-2-1-3-8-16/h1-3,6-9,14,18H,4-5,10-13,15H2,(H,22,26)/t18-/m1/s1