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

Systemtic Name: methyl 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]furan-3-carboxylic acid methyl ester Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=C(C=CO2)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=C(C=CO2)C(=O)OC

InChI

InChI=1S/C13H15N3O3S/c1-4-6-16-9(2)14-15-13(16)20-8-11-10(5-7-19-11)12(17)18-3/h4-5,7H,1,6,8H2,2-3H3