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

Systemtic Name: propan-2-yl 4-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid isopropyl ester Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)OC(C)C

InChI

InChI=1S/C17H24N4O2S/c1-4-5-6-15-19-20-17(21(15)18)24-11-13-7-9-14(10-8-13)16(22)23-12(2)3/h7-10,12H,4-6,11,18H2,1-3H3