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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C14H17N3O3S/c1-3-7-17-13(19)15-16-14(17)21-9-10-5-4-6-11(8-10)12(18)20-2/h4-6,8H,3,7,9H2,1-2H3,(H,15,19)