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

Systemtic Name: 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[[5-(3-indolylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N5OS/c1-29-24(21-16-26-22-10-6-5-9-20(21)22)27-28-25(29)32-17-23(31)30-13-11-19(12-14-30)15-18-7-3-2-4-8-18/h2-10,16,19,27H,11-15,17H2,1H3