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

Systemtic Name: methyl 2-methyl-5-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 5-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 2-methyl-5-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 5-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O3S/c1-4-9-22-16(13-5-7-19-8-6-13)20-21-18(22)26-11-14-10-15(12(2)25-14)17(23)24-3/h4-8,10H,1,9,11H2,2-3H3