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

Systemtic Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-[4-(4-hydroxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-1-[4-(4-hydroxyphenyl)piperazino]ethanone Formula: C25H26N6O2S MolecularWeight: 474.57794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC(=O)N5CCN(CC5)C6=CC=C(C=C6)O

Isomeric SMILES

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC(=O)N5CCN(CC5)C6=CC=C(C=C6)O

InChI

InChI=1S/C25H26N6O2S/c32-19-9-7-17(8-10-19)29-11-13-30(14-12-29)23(33)16-34-25-28-27-24(31(25)18-5-6-18)21-15-26-22-4-2-1-3-20(21)22/h1-4,7-10,15,18,27,32H,5-6,11-14,16H2