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

Systemtic Name: 2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate Openeye Name: 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl ester IUPAC Name: 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCN1C(=O)NN=C1SCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O3S/c1-2-8-17-13(19)15-16-14(17)21-10-9-20-12(18)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,19)