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

Systemtic Name: methyl 3-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O3S/c1-24-15-8-6-13(7-9-15)16-20-21-18(22(16)19)26-11-12-4-3-5-14(10-12)17(23)25-2/h3-10H,11,19H2,1-2H3