[2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-nitrophenyl)piperazin-1-yl]-[2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazol-4-yl]methanone CAS Name: [2-[[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(4-nitrophenyl)piperazino]-[2-[[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazol-4-yl]methanone Formula: C29H26N8O3S2 MolecularWeight: 598.69854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=CS3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=NC=C6

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=CS3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=NC=C6

InChI

InChI=1S/C29H26N8O3S2/c1-20-4-2-3-5-25(20)36-27(21-10-12-30-13-11-21)32-33-29(36)42-19-26-31-24(18-41-26)28(38)35-16-14-34(15-17-35)22-6-8-23(9-7-22)37(39)40/h2-13,18H,14-17,19H2,1H3