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

Systemtic Name: methyl 4-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(3-amino-3-oxo-propyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(3-amino-3-oxopropyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3-amino-3-oxopropyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(3-amino-3-keto-propyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)CCC(=O)N

InChI

InChI=1S/C16H20N4O3S/c1-3-20-14(9-8-13(17)21)18-19-16(20)24-10-11-4-6-12(7-5-11)15(22)23-2/h4-7H,3,8-10H2,1-2H3,(H2,17,21)