(4-methylsulfanyl-3-nitro-phenyl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-[1-(2-pyridylmethyl)imidazol-2-yl]-1-piperidyl]methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[4-[1-(2-pyridinylmethyl)-2-imidazolyl]-1-piperidinyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone Traditional Name: [4-(methylthio)-3-nitro-phenyl]-[4-[1-(2-pyridylmethyl)imidazol-2-yl]piperidino]methanone Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC=CN3CC4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC=CN3CC4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3S/c1-31-20-6-5-17(14-19(20)27(29)30)22(28)25-11-7-16(8-12-25)21-24-10-13-26(21)15-18-4-2-3-9-23-18/h2-6,9-10,13-14,16H,7-8,11-12,15H2,1H3