2-[[5-cyclopropyl-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-cyclopropyl-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclopropyl-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclopropyl-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclopropyl-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclopropyl-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C15H16N3O2S- MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)[O-])C3CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)[O-])C3CC3)C

InChI

InChI=1S/C15H17N3O2S/c1-9-3-6-12(7-10(9)2)18-14(11-4-5-11)16-17-15(18)21-8-13(19)20/h3,6-7,11H,4-5,8H2,1-2H3,(H,19,20)/p-1