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

Systemtic Name: N-cycloheptyl-2-[[5-(2-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cycloheptyl-2-[[5-(2-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cycloheptyl-2-[[5-(2-methoxyphenyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cycloheptyl-2-[[5-(2-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cycloheptyl-2-[[5-(2-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4CCCCCC4

InChI

InChI=1S/C22H27N5O2S/c1-29-19-13-7-6-12-18(19)21-24-25-22(27(21)26-14-8-9-15-26)30-16-20(28)23-17-10-4-2-3-5-11-17/h6-9,12-15,17H,2-5,10-11,16H2,1H3,(H,23,28)