2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-1-[4-(2-methoxyphenyl)piperazino]ethanone Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NNC(=C4C=NC5=CC=CC=C54)N3C6CC6

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NNC(=C4C=NC5=CC=CC=C54)N3C6CC6

InChI

InChI=1S/C26H28N6O2S/c1-34-23-9-5-4-8-22(23)30-12-14-31(15-13-30)24(33)17-35-26-29-28-25(32(26)18-10-11-18)20-16-27-21-7-3-2-6-19(20)21/h2-9,16,18,28H,10-15,17H2,1H3