2-[[3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole

Systemtic Name: 2-[[3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole Openeye Name: 2-[[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]methyl]-1H-indole CAS Name: 2-[[3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]methyl]-1H-indole IUPAC Name: 2-[[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole Traditional Name: 2-[[3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]piperidino]methyl]-1H-indole Formula: C24H27N5S MolecularWeight: 417.56968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC4=CC5=CC=CC=C5N4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC4=CC5=CC=CC=C5N4

InChI

InChI=1S/C24H27N5S/c1-28-23(26-27-24(28)30-17-18-8-3-2-4-9-18)20-11-7-13-29(15-20)16-21-14-19-10-5-6-12-22(19)25-21/h2-6,8-10,12,14,20,25H,7,11,13,15-17H2,1H3