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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)CCC(=O)N

InChI

InChI=1S/C15H18N4O3S/c1-19-13(8-7-12(16)20)17-18-15(19)23-10-9-22-14(21)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,16,20)