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

Systemtic Name: N-cyclopropyl-2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclopropyl-2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-acetamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3CC3)OC

InChI

InChI=1S/C18H22N4O3S/c1-4-9-22-17(12-5-8-14(24-2)15(10-12)25-3)20-21-18(22)26-11-16(23)19-13-6-7-13/h4-5,8,10,13H,1,6-7,9,11H2,2-3H3,(H,19,23)