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

Systemtic Name: methyl 2-[[5-(2-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-allyl-5-(2-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(2-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-allyl-5-o-phenetyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)OC

InChI

InChI=1S/C16H19N3O3S/c1-4-10-19-15(12-8-6-7-9-13(12)22-5-2)17-18-16(19)23-11-14(20)21-3/h4,6-9H,1,5,10-11H2,2-3H3