N-(2-bromanyl-4-nitro-phenyl)-2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[[4-cyclopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[4-cyclopropyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[[4-cyclopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H23BrN6O3S MolecularWeight: 495.39332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C19H23BrN6O3S/c1-12-6-8-24(9-7-12)18-22-23-19(25(18)13-2-3-13)30-11-17(27)21-16-5-4-14(26(28)29)10-15(16)20/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,21,27)