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

Systemtic Name: [2-[[5-(2-chlorophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [2-[[5-(2-chlorophenyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [2-[[[5-(2-chlorophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [2-[[5-(2-chlorophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [2-[[[5-(2-chlorophenyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]thiazol-4-yl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C30H26ClN7O3S2 MolecularWeight: 632.15554

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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=CC=C6Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=CS3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6Cl

InChI

InChI=1S/C30H26ClN7O3S2/c1-20-6-2-5-9-26(20)37-28(23-7-3-4-8-24(23)31)33-34-30(37)43-19-27-32-25(18-42-27)29(39)36-16-14-35(15-17-36)21-10-12-22(13-11-21)38(40)41/h2-13,18H,14-17,19H2,1H3