[4-[(2-methylphenyl)methylsulfanyl]-3-nitro-phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-[(2-methylphenyl)methylsulfanyl]-3-nitro-phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-nitro-4-(o-tolylmethylsulfanyl)phenyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methylthio]-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [4-[(2-methylphenyl)methylsulfanyl]-3-nitrophenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[(2-methylbenzyl)thio]-3-nitro-phenyl]-[4-(2-pyridyl)piperazino]methanone Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O3S/c1-18-6-2-3-7-20(18)17-32-22-10-9-19(16-21(22)28(30)31)24(29)27-14-12-26(13-15-27)23-8-4-5-11-25-23/h2-11,16H,12-15,17H2,1H3