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

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dimethoxyphenyl)propionamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H28N4O3S/c1-13(19(25)21-15-10-11-17(26-3)18(12-15)27-4)28-20-23-22-14(2)24(20)16-8-6-5-7-9-16/h10-13,16H,5-9H2,1-4H3,(H,21,25)