N-cyclopentyl-2-[[5-[(4-methoxyphenyl)methyl]-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclopentyl-2-[[5-[(4-methoxyphenyl)methyl]-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclopentyl-2-[[5-[(4-methoxyphenyl)methyl]-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclopentyl-2-[[5-[(4-methoxyphenyl)methyl]-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclopentyl-2-[[5-[(4-methoxyphenyl)methyl]-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclopentyl-2-[(5-p-anisyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2N3C=CC=C3)SCC(=O)NC4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2N3C=CC=C3)SCC(=O)NC4CCCC4

InChI

InChI=1S/C21H25N5O2S/c1-28-18-10-8-16(9-11-18)14-19-23-24-21(26(19)25-12-4-5-13-25)29-15-20(27)22-17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14-15H2,1H3,(H,22,27)