2-[[4-(3-methoxypropyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[5-benzyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[4-(3-methoxypropyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[[5-benzyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[5-benzyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NN=C(N1CCCOC)CC2=CC=CC=C2

Isomeric SMILES

CNC(=O)CSC1=NN=C(N1CCCOC)CC2=CC=CC=C2

InChI

InChI=1S/C16H22N4O2S/c1-17-15(21)12-23-16-19-18-14(20(16)9-6-10-22-2)11-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,17,21)