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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-diethoxyphenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-diethoxyphenyl)acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3,4-diethoxyphenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-diethoxyphenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3,4-diethoxyphenyl)acetamide Formula: C20H29N5O3S MolecularWeight: 419.54096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3)OCC

InChI

InChI=1S/C20H29N5O3S/c1-3-27-16-11-10-15(12-17(16)28-4-2)22-18(26)13-29-20-24-23-19(25(20)21)14-8-6-5-7-9-14/h10-12,14H,3-9,13,21H2,1-2H3,(H,22,26)