(E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate

Systemtic Name: (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Openeye Name: (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate CAS Name: (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoate IUPAC Name: (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Traditional Name: (E)-3-[3-(2-chlorobenzyl)oxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylate Formula: C19H15ClN3O3S- MolecularWeight: 400.8587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC(=CC=C2)OCC3=CC=CC=C3Cl)C(=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)S/C(=C/C2=CC(=CC=C2)OCC3=CC=CC=C3Cl)/C(=O)[O-]

InChI

InChI=1S/C19H16ClN3O3S/c1-12-21-19(23-22-12)27-17(18(24)25)10-13-5-4-7-15(9-13)26-11-14-6-2-3-8-16(14)20/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23)/p-1/b17-10+