1-(2,6-dimethylpiperidin-1-yl)-2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2,6-dimethyl-1-piperidyl)-2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,6-dimethyl-1-piperidinyl)-2-[[(5Z)-5-(3-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2,6-dimethylpiperidino)-2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5=CC=CC=C5)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5=CC=CC=C5)C

InChI

InChI=1S/C25H27N5OS/c1-17-9-8-10-18(2)29(17)23(31)16-32-25-28-27-24(30(25)19-11-4-3-5-12-19)21-15-26-22-14-7-6-13-20(21)22/h3-7,11-15,17-18,27H,8-10,16H2,1-2H3/b24-21-