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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitro-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-4-nitrophenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-4-nitro-phenyl)acetamide Formula: C16H19ClN6O3S MolecularWeight: 410.87846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H19ClN6O3S/c17-12-8-11(23(25)26)6-7-13(12)19-14(24)9-27-16-21-20-15(22(16)18)10-4-2-1-3-5-10/h6-8,10H,1-5,9,18H2,(H,19,24)