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

Systemtic Name: methyl 5-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C15H13ClN4O3S MolecularWeight: 364.80672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H13ClN4O3S/c1-22-14(21)12-7-6-11(23-12)8-24-15-19-18-13(20(15)17)9-2-4-10(16)5-3-9/h2-7H,8,17H2,1H3