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

Systemtic Name: 3-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionate Formula: C19H17ClN3O3S- MolecularWeight: 402.87458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCCC(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCCC(=O)[O-])Cl

InChI

InChI=1S/C19H18ClN3O3S/c1-13-11-15(7-8-16(13)20)26-12-17-21-22-19(27-10-9-18(24)25)23(17)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,24,25)/p-1