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

Systemtic Name: methyl 3-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[5-(3-amino-3-oxo-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-(3-amino-3-keto-propyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)OC)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)OC)CCC(=O)N

InChI

InChI=1S/C15H18N4O3S/c1-19-13(7-6-12(16)20)17-18-15(19)23-9-10-4-3-5-11(8-10)14(21)22-2/h3-5,8H,6-7,9H2,1-2H3,(H2,16,20)