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

Systemtic Name: 2-[[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-propan-1-one Openeye Name: 2-[[(5Z)-5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)propan-1-one CAS Name: 2-[[(5Z)-5-(3-indolylidene)-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-propanone IUPAC Name: 2-[[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylpropan-1-one Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl]thio]-1-piperidino-propan-1-one Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C3C=NC4=CC=CC=C43)NN=C2SC(C)C(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=CC=C1N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SC(C)C(=O)N5CCCCC5

InChI

InChI=1S/C25H27N5OS/c1-17-10-4-7-13-22(17)30-23(20-16-26-21-12-6-5-11-19(20)21)27-28-25(30)32-18(2)24(31)29-14-8-3-9-15-29/h4-7,10-13,16,18,27H,3,8-9,14-15H2,1-2H3/b23-20-