methyl 3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C19H18N4O2S/c1-3-11-23-17(15-7-9-20-10-8-15)21-22-19(23)26-13-14-5-4-6-16(12-14)18(24)25-2/h3-10,12H,1,11,13H2,2H3