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

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

CCCC1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCC1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H18N4O2S/c1-3-4-12-16-17-14(18(12)15)21-9-10-5-7-11(8-6-10)13(19)20-2/h5-8H,3-4,9,15H2,1-2H3