2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone

Systemtic Name: 2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone Openeye Name: 2-[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone CAS Name: 2-[[4-(2-methylcyclohexyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(2-methyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone Traditional Name: 2-[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2-methyl-1H-indol-3-yl)ethanone Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=C2SCC(=O)C3=C(NC4=CC=CC=C43)C)C5=CN=CC=C5

Isomeric SMILES

CC1CCCCC1N2C(=NN=C2SCC(=O)C3=C(NC4=CC=CC=C43)C)C5=CN=CC=C5

InChI

InChI=1S/C25H27N5OS/c1-16-8-3-6-12-21(16)30-24(18-9-7-13-26-14-18)28-29-25(30)32-15-22(31)23-17(2)27-20-11-5-4-10-19(20)23/h4-5,7,9-11,13-14,16,21,27H,3,6,8,12,15H2,1-2H3