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

Systemtic Name: 2-[[4-azanyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methyl-acetamide CAS Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-methylacetamide IUPAC Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methylacetamide Traditional Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-methyl-acetamide Formula: C17H22ClN5OS MolecularWeight: 379.90748

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)Cl

Isomeric SMILES

CN(C1CCCCC1)C(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H22ClN5OS/c1-22(14-8-3-2-4-9-14)15(24)11-25-17-21-20-16(23(17)19)12-6-5-7-13(18)10-12/h5-7,10,14H,2-4,8-9,11,19H2,1H3