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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloranyl-2-methoxy-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(5-chloro-2-methoxyphenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C17H22ClN5O2S MolecularWeight: 395.90688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C17H22ClN5O2S/c1-25-14-8-7-12(18)9-13(14)20-15(24)10-26-17-22-21-16(23(17)19)11-5-3-2-4-6-11/h7-9,11H,2-6,10,19H2,1H3,(H,20,24)