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

Systemtic Name: methyl 4-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NNC(=O)N2C3CC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NNC(=O)N2C3CC3

InChI

InChI=1S/C14H15N3O3S/c1-20-12(18)10-4-2-9(3-5-10)8-21-14-16-15-13(19)17(14)11-6-7-11/h2-5,11H,6-8H2,1H3,(H,15,19)