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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H22ClN5O3S MolecularWeight: 423.91698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H22ClN5O3S/c1-11(17(25)20-16-9-8-14(24(26)27)10-15(16)19)28-18-22-21-12(2)23(18)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,20,25)