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

Systemtic Name: ethyl 5-[[5-[(4-methylphenyl)amino]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: ethyl 5-[[5-(4-methylanilino)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(4-methylanilino)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[5-(4-methylanilino)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(p-toluidino)-1H-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CSC2=NNC(=N2)NC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CSC2=NNC(=N2)NC3=CC=C(C=C3)C

InChI

InChI=1S/C17H18N4O3S/c1-3-23-15(22)14-9-8-13(24-14)10-25-17-19-16(20-21-17)18-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H2,18,19,20,21)