4-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H19N3O2S/c1-3-11-23-18(17-6-4-5-14(2)12-17)21-22-20(23)26-13-15-7-9-16(10-8-15)19(24)25/h3-10,12H,1,11,13H2,2H3,(H,24,25)