2-[3-(3-methylphenyl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-[3-(3-methylphenyl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-(m-tolyl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-(3-phenoxypropylthio)-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-(m-tolyl)-5-(3-phenoxypropylthio)-1,2,4-triazol-4-yl]acetamide Formula: C20H22N4O2S MolecularWeight: 382.47928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N)SCCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N)SCCCOC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-15-7-5-8-16(13-15)19-22-23-20(24(19)14-18(21)25)27-12-6-11-26-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14H2,1H3,(H2,21,25)