N-(2-chloranyl-5-nitro-phenyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H23ClN6O3S MolecularWeight: 450.94232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C19H23ClN6O3S/c1-12(17(27)21-16-11-14(26(28)29)7-8-15(16)20)30-19-23-22-18(25(19)13-5-6-13)24-9-3-2-4-10-24/h7-8,11-13H,2-6,9-10H2,1H3,(H,21,27)