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

Systemtic Name: propan-2-yl 4-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S/c1-4-5-14-18-19-16(20(14)17)23-10-12-6-8-13(9-7-12)15(21)22-11(2)3/h6-9,11H,4-5,10,17H2,1-3H3