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

Systemtic Name: methyl 4-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H19N3O3S/c1-3-4-9-18-14(20)16-17-15(18)22-10-11-5-7-12(8-6-11)13(19)21-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,20)