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

Systemtic Name: ethyl 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSC2=NNC(=N2)C3CC3

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSC2=NNC(=N2)C3CC3

InChI

InChI=1S/C13H15N3O3S/c1-2-18-12(17)9-5-6-19-10(9)7-20-13-14-11(15-16-13)8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H,14,15,16)