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

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-chloro-2-nitrophenyl)-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H21ClN6O3S MolecularWeight: 436.91574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN6O3S/c19-12-4-7-14(15(10-12)25(27)28)20-16(26)11-29-18-22-21-17(24(18)13-5-6-13)23-8-2-1-3-9-23/h4,7,10,13H,1-3,5-6,8-9,11H2,(H,20,26)