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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloranyl-2-methoxy-phenyl)propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methoxy-phenyl)propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(5-chloro-2-methoxyphenyl)propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)propanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(5-chloro-2-methoxy-phenyl)propionamide Formula: C18H24ClN5O2S MolecularWeight: 409.93346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C18H24ClN5O2S/c1-11(17(25)21-14-10-13(19)8-9-15(14)26-2)27-18-23-22-16(24(18)20)12-6-4-3-5-7-12/h8-12H,3-7,20H2,1-2H3,(H,21,25)