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

Systemtic Name: methyl 4-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(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=C(C=C1)CSC2=NN=C(N2N)C3CC3

Isomeric SMILES

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

InChI

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