(4-methylsulfanyl-3-nitro-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-(methylthio)-3-nitro-phenyl]-[4-(4-pyridylmethyl)piperazino]methanone Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3S/c1-26-17-3-2-15(12-16(17)22(24)25)18(23)21-10-8-20(9-11-21)13-14-4-6-19-7-5-14/h2-7,12H,8-11,13H2,1H3