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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2CC=C)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2CC=C)CC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3S/c1-3-11-22-17(12-14-7-5-4-6-8-14)20-21-19(22)26-13-15-9-10-16(25-15)18(23)24-2/h3-10H,1,11-13H2,2H3