3-[3-(2-methoxyphenyl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(2-methoxyphenyl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid Openeye Name: 3-[3-(2-methoxyphenyl)-4-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]propanoic acid CAS Name: 3-[3-(2-methoxyphenyl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid IUPAC Name: 3-[3-(2-methoxyphenyl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid Traditional Name: 3-[3-(2-methoxyphenyl)-4-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]propionic acid Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)CCC(=O)O)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)CCC(=O)O)C3=CC=CC=C3OC

InChI

InChI=1S/C19H19N3O3S/c1-13-7-9-14(10-8-13)22-18(15-5-3-4-6-16(15)25-2)20-21(19(22)26)12-11-17(23)24/h3-10H,11-12H2,1-2H3,(H,23,24)