5-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(4-amino-5-p-anisyl-1,2,4-triazol-3-yl)thio]methyl]-2-thenoic acid Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=C(S3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C16H16N4O3S2/c1-23-11-4-2-10(3-5-11)8-14-18-19-16(20(14)17)24-9-12-6-7-13(25-12)15(21)22/h2-7H,8-9,17H2,1H3,(H,21,22)