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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C19H27N5O4S/c1-26-14-9-13(10-15(27-2)17(14)28-3)21-16(25)11-29-19-23-22-18(24(19)20)12-7-5-4-6-8-12/h9-10,12H,4-8,11,20H2,1-3H3,(H,21,25)