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

Systemtic Name: methyl 3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C15H12ClN3O3S MolecularWeight: 349.79208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NN=CN2C3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NN=CN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H12ClN3O3S/c1-21-14(20)13-10(5-6-22-13)8-23-15-18-17-9-19(15)12-4-2-3-11(16)7-12/h2-7,9H,8H2,1H3