[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [2-(3,4-dimethylphenyl)sulfanyl-3-pyridyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [2-[(3,4-dimethylphenyl)thio]-3-pyridyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H24N4O3S/c1-17-5-10-21(16-18(17)2)32-23-22(4-3-11-25-23)24(29)27-14-12-26(13-15-27)19-6-8-20(9-7-19)28(30)31/h3-11,16H,12-15H2,1-2H3