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

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-methyl-N-veratryl-acetamide Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C23H32N4O3S/c1-5-13-27-22(18-9-7-6-8-10-18)24-25-23(27)31-16-21(28)26(2)15-17-11-12-19(29-3)20(14-17)30-4/h5,11-12,14,18H,1,6-10,13,15-16H2,2-4H3