4-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-allyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-allyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C19H15ClN3O2S- MolecularWeight: 384.8593

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C19H16ClN3O2S/c1-2-11-23-17(15-5-3-4-6-16(15)20)21-22-19(23)26-12-13-7-9-14(10-8-13)18(24)25/h2-10H,1,11-12H2,(H,24,25)/p-1