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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methyl-phenyl)propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(5-chloro-2-methylphenyl)propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)propanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(5-chloro-2-methyl-phenyl)propionamide Formula: C18H24ClN5OS MolecularWeight: 393.93406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)SC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)SC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C18H24ClN5OS/c1-11-8-9-14(19)10-15(11)21-17(25)12(2)26-18-23-22-16(24(18)20)13-6-4-3-5-7-13/h8-10,12-13H,3-7,20H2,1-2H3,(H,21,25)