4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[[1-(1-piperidyl)cyclohexyl]methyl]benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[[1-(1-piperidinyl)cyclohexyl]methyl]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[(1-piperidinocyclohexyl)methyl]benzamide Formula: C22H30N6O3S MolecularWeight: 458.577

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC3(CCCCC3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC3(CCCCC3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O3S/c1-26-16-24-25-21(26)32-19-9-8-17(14-18(19)28(30)31)20(29)23-15-22(10-4-2-5-11-22)27-12-6-3-7-13-27/h8-9,14,16H,2-7,10-13,15H2,1H3,(H,23,29)