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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-(4-ethoxyphenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[(5-indol-3-ylidene-4-p-phenetyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C26H28N6O3S MolecularWeight: 504.60392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC(=O)N5CCN(CC5)C(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC(=O)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C26H28N6O3S/c1-3-35-20-10-8-19(9-11-20)32-25(22-16-27-23-7-5-4-6-21(22)23)28-29-26(32)36-17-24(34)31-14-12-30(13-15-31)18(2)33/h4-11,16,28H,3,12-15,17H2,1-2H3