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

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyclopentylpyrazol-3-yl)acetamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=NN3C4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=NN3C4CCCC4

InChI

InChI=1S/C22H26N6O2S/c1-3-14-27-21(17-10-6-7-11-18(17)30-2)25-26-22(27)31-15-20(29)24-19-12-13-23-28(19)16-8-4-5-9-16/h3,6-7,10-13,16H,1,4-5,8-9,14-15H2,2H3,(H,24,29)