1-methyl-N-[2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrole-2-carboxamide

Systemtic Name: 1-methyl-N-[2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrole-2-carboxamide Openeye Name: 1-methyl-N-[2-[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrole-2-carboxamide CAS Name: 1-methyl-N-[2-[[4-(2-methylcyclohexyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-N-[2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrole-2-carboxamide Traditional Name: 1-methyl-N-[2-[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]pyrrole-2-carboxamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=C2SCC(=O)NC(=O)C3=CC=CN3C)C4=CN=CC=C4

Isomeric SMILES

CC1CCCCC1N2C(=NN=C2SCC(=O)NC(=O)C3=CC=CN3C)C4=CN=CC=C4

InChI

InChI=1S/C22H26N6O2S/c1-15-7-3-4-9-17(15)28-20(16-8-5-11-23-13-16)25-26-22(28)31-14-19(29)24-21(30)18-10-6-12-27(18)2/h5-6,8,10-13,15,17H,3-4,7,9,14H2,1-2H3,(H,24,29,30)