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

Systemtic Name: 2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-(2-methyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]-1-(2-methyl-1H-indol-3-yl)ethanone Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)C4=C(NC5=CC=CC=C54)C

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)C4=C(NC5=CC=CC=C54)C

InChI

InChI=1S/C22H27N5OS/c1-14-9-11-26(12-10-14)21-24-25-22(27(21)16-7-8-16)29-13-19(28)20-15(2)23-18-6-4-3-5-17(18)20/h3-6,14,16,23H,7-13H2,1-2H3