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

Systemtic Name: propan-2-yl 4-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid isopropyl ester Formula: C15H20N4O2S MolecularWeight: 320.4099

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CCC1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)OC(C)C

InChI

InChI=1S/C15H20N4O2S/c1-4-13-17-18-15(19(13)16)22-9-11-5-7-12(8-6-11)14(20)21-10(2)3/h5-8,10H,4,9,16H2,1-3H3