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

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C15H16N3O4S- MolecularWeight: 334.37024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)[O-])OC

InChI

InChI=1S/C15H17N3O4S/c1-4-7-18-14(16-17-15(18)23-9-13(19)20)10-5-6-11(21-2)12(8-10)22-3/h4-6,8H,1,7,9H2,2-3H3,(H,19,20)/p-1