4-[(4-chlorophenyl)methyl]-5-(3-methoxypropylsulfanyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 4-[(4-chlorophenyl)methyl]-5-(3-methoxypropylsulfanyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 4-[(4-chlorophenyl)methyl]-5-(3-methoxypropylsulfanyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 4-[(4-chlorophenyl)methyl]-5-(3-methoxypropylthio)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 4-[(4-chlorophenyl)methyl]-5-(3-methoxypropylsulfanyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 4-(4-chlorobenzyl)-5-(3-methoxypropylthio)-1,2,4-triazole-3-carboxylic acid Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

COCCCSC1=NN=C(N1CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

COCCCSC1=NN=C(N1CC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C14H16ClN3O3S/c1-21-7-2-8-22-14-17-16-12(13(19)20)18(14)9-10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,19,20)