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

Systemtic Name: 2-[3-(3-methylphenyl)-5-(2-propan-2-yloxyethylsulfanyl)-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-(2-isopropoxyethylsulfanyl)-5-(m-tolyl)-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-(2-propan-2-yloxyethylthio)-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-(2-propan-2-yloxyethylsulfanyl)-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-(2-isopropoxyethylthio)-5-(m-tolyl)-1,2,4-triazol-4-yl]acetamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S/c1-11(2)22-7-8-23-16-19-18-15(20(16)10-14(17)21)13-6-4-5-12(3)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H2,17,21)