2-[[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[(5Z)-5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[(5Z)-5-(3-indolylidene)-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=CC=C1N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC(=O)N5CCCCC5

InChI

InChI=1S/C24H25N5OS/c1-17-9-3-6-12-21(17)29-23(19-15-25-20-11-5-4-10-18(19)20)26-27-24(29)31-16-22(30)28-13-7-2-8-14-28/h3-6,9-12,15,26H,2,7-8,13-14,16H2,1H3/b23-19-