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

Systemtic Name: methyl 5-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H16BrN3O3S MolecularWeight: 434.30694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O3S/c1-3-10-22-16(12-4-6-13(19)7-5-12)20-21-18(22)26-11-14-8-9-15(25-14)17(23)24-2/h3-9H,1,10-11H2,2H3