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

Systemtic Name: 2-[[5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(3-indolylidene)-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[[5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperazino)ethanone Formula: C24H26N6OS MolecularWeight: 446.56784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC(=O)N5CCN(CC5)C

InChI

InChI=1S/C24H26N6OS/c1-17-6-5-7-18(14-17)30-23(20-15-25-21-9-4-3-8-19(20)21)26-27-24(30)32-16-22(31)29-12-10-28(2)11-13-29/h3-9,14-15,26H,10-13,16H2,1-2H3