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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-veratryl-acetamide Formula: C19H27N5O3S MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NN=C(N2N)C3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NN=C(N2N)C3CCCCC3)OC

InChI

InChI=1S/C19H27N5O3S/c1-26-15-9-8-13(10-16(15)27-2)11-21-17(25)12-28-19-23-22-18(24(19)20)14-6-4-3-5-7-14/h8-10,14H,3-7,11-12,20H2,1-2H3,(H,21,25)