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

Systemtic Name: methyl 2-methyl-5-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 5-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 2-methyl-5-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 5-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S/c1-4-10-22-17(14-8-6-5-7-9-14)20-21-19(22)26-12-15-11-16(13(2)25-15)18(23)24-3/h4-9,11H,1,10,12H2,2-3H3