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

Systemtic Name: methyl 4-[(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)methyl]benzoate Openeye Name: methyl 4-[(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)methyl]benzoate CAS Name: 4-[[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)methyl]benzoate Traditional Name: 4-[[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]methyl]benzoic acid methyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=CC=C(C=C2)C(=O)OC)N

Isomeric SMILES

CCSC1=NN=C(N1CC2=CC=C(C=C2)C(=O)OC)N

InChI

InChI=1S/C13H16N4O2S/c1-3-20-13-16-15-12(14)17(13)8-9-4-6-10(7-5-9)11(18)19-2/h4-7H,3,8H2,1-2H3,(H2,14,15)