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

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3)OC

InChI

InChI=1S/C21H28N4O3S/c1-4-12-25-20(15-8-6-5-7-9-15)23-24-21(25)29-14-19(26)22-16-10-11-17(27-2)18(13-16)28-3/h4,10-11,13,15H,1,5-9,12,14H2,2-3H3,(H,22,26)