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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C(=N1)SC2=CC=CC=C2C(=O)OC)C3CC3

Isomeric SMILES

CN1C(=O)N(C(=N1)SC2=CC=CC=C2C(=O)OC)C3CC3

InChI

InChI=1S/C14H15N3O3S/c1-16-14(19)17(9-7-8-9)13(15-16)21-11-6-4-3-5-10(11)12(18)20-2/h3-6,9H,7-8H2,1-2H3