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

Systemtic Name: 5-[[4-azanyl-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-amino-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-amino-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-amino-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-amino-5-(4-chlorobenzyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furoate Formula: C15H12ClN4O3S- MolecularWeight: 363.79878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NN=C(N2N)SCC3=CC=C(O3)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=NN=C(N2N)SCC3=CC=C(O3)C(=O)[O-])Cl

InChI

InChI=1S/C15H13ClN4O3S/c16-10-3-1-9(2-4-10)7-13-18-19-15(20(13)17)24-8-11-5-6-12(23-11)14(21)22/h1-6H,7-8,17H2,(H,21,22)/p-1