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

Systemtic Name: methyl 3-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2N)C3CC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C14H16N4O2S/c1-20-13(19)11-4-2-3-9(7-11)8-21-14-17-16-12(18(14)15)10-5-6-10/h2-4,7,10H,5-6,8,15H2,1H3