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

Systemtic Name: methyl 3-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C16H15N3O4S/c1-22-14(20)13-12(7-8-23-13)10-24-16-18-17-15(21)19(16)9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,17,21)