methyl 2-[[5-azanyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-azanyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-amino-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-amino-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-amino-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-amino-4-(4-methylbenzyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)OC)N

InChI

InChI=1S/C13H16N4O2S/c1-9-3-5-10(6-4-9)7-17-12(14)15-16-13(17)20-8-11(18)19-2/h3-6H,7-8H2,1-2H3,(H2,14,15)