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

Systemtic Name: 2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-propargyl-acetamide Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NCC#C)C2=CC(=CC=C2)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NCC#C)C2=CC(=CC=C2)C

InChI

InChI=1S/C17H20N4OS/c1-4-9-18-15(22)12-23-17-20-19-16(21(17)10-5-2)14-8-6-7-13(3)11-14/h1,6-8,11H,5,9-10,12H2,2-3H3,(H,18,22)