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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NN=C(N2CC=C)C3CC3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C21H28N4O3S/c1-5-11-25-20(16-8-9-16)22-23-21(25)29-14-19(26)24(6-2)13-15-7-10-17(27-3)18(12-15)28-4/h5,7,10,12,16H,1,6,8-9,11,13-14H2,2-4H3