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

Systemtic Name: methyl 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C18H17N3O3S/c1-23-17(22)15-13(9-10-24-15)11-25-18-20-19-16(12-7-8-12)21(18)14-5-3-2-4-6-14/h2-6,9-10,12H,7-8,11H2,1H3