2-[[4-azanyl-5-[(4-chloranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-[(4-chloranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C17H22ClN5O2S MolecularWeight: 395.90688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NN=C(N2N)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=C(N2N)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H22ClN5O2S/c18-12-6-8-14(9-7-12)25-10-15-21-22-17(23(15)19)26-11-16(24)20-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11,19H2,(H,20,24)