2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-isopropyl-acetamide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC(C)C

InChI

InChI=1S/C17H22N4OS/c1-5-9-21-16(14-8-6-7-13(4)10-14)19-20-17(21)23-11-15(22)18-12(2)3/h5-8,10,12H,1,9,11H2,2-4H3,(H,18,22)