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

Systemtic Name: ethyl 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSC2=NNC(=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSC2=NNC(=N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H17N3O3S/c1-3-22-16(21)13-8-9-23-14(13)10-24-17-18-15(19-20-17)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,18,19,20)