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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-propargyl-acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NCC#C

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NCC#C

InChI

InChI=1S/C22H22N4O2S/c1-3-14-23-20(27)16-29-22-25-24-21(18-9-11-19(28-2)12-10-18)26(22)15-13-17-7-5-4-6-8-17/h1,4-12H,13-16H2,2H3,(H,23,27)