5-(phenylsulfanylmethyl)-1-(4-propan-2-ylphenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 5-(phenylsulfanylmethyl)-1-(4-propan-2-ylphenyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-isopropylphenyl)-5-(phenylsulfanylmethyl)triazole-4-carboxylate CAS Name: 5-[(phenylthio)methyl]-1-(4-propan-2-ylphenyl)-4-triazolecarboxylate IUPAC Name: 5-(phenylsulfanylmethyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxylate Traditional Name: 1-p-cumenyl-5-[(phenylthio)methyl]triazole-4-carboxylate Formula: C19H18N3O2S- MolecularWeight: 352.43012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)[O-])CSC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)[O-])CSC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-13(2)14-8-10-15(11-9-14)22-17(18(19(23)24)20-21-22)12-25-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,23,24)/p-1