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

Systemtic Name: methyl 4-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H18N4O2S/c1-9(2)12-16-17-14(18(12)15)21-8-10-4-6-11(7-5-10)13(19)20-3/h4-7,9H,8,15H2,1-3H3