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

Systemtic Name: 2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[4-allyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[5-[(phenylthio)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[4-allyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2C(=O)O)CSC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2C(=O)O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O2S2/c1-2-12-23-18(14-26-16-9-4-3-5-10-16)21-22-20(23)27-13-15-8-6-7-11-17(15)19(24)25/h2-11H,1,12-14H2,(H,24,25)