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

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chloro-4-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chloro-4-methyl-phenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetate Formula: C14H13ClN3O2S- MolecularWeight: 322.78992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O2S/c1-8-2-5-10(6-11(8)15)18-13(9-3-4-9)16-17-14(18)21-7-12(19)20/h2,5-6,9H,3-4,7H2,1H3,(H,19,20)/p-1