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

Systemtic Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-phenylmethoxyphenyl)prop-2-enoate Openeye Name: (E)-3-(4-benzyloxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate CAS Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-(4-phenylmethoxyphenyl)-2-propenoate IUPAC Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-benzoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylate Formula: C19H16N3O3S- MolecularWeight: 366.41364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)S/C(=C/C2=CC=C(C=C2)OCC3=CC=CC=C3)/C(=O)[O-]

InChI

InChI=1S/C19H17N3O3S/c1-13-20-19(22-21-13)26-17(18(23)24)11-14-7-9-16(10-8-14)25-12-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,23,24)(H,20,21,22)/p-1/b17-11+