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

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C22H30N4O4S/c1-5-11-26-21(15-9-7-6-8-10-15)24-25-22(26)31-14-19(27)23-16-12-17(28-2)20(30-4)18(13-16)29-3/h5,12-13,15H,1,6-11,14H2,2-4H3,(H,23,27)