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

Systemtic Name: (Z)-3-(3-methoxy-4-phenylmethoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Openeye Name: (Z)-3-(4-benzyloxy-3-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate CAS Name: (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoate IUPAC Name: (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Traditional Name: (Z)-3-(4-benzoxy-3-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylate Formula: C20H18N3O4S- MolecularWeight: 396.43962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-13-21-20(23-22-13)28-18(19(24)25)11-15-8-9-16(17(10-15)26-2)27-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,24,25)(H,21,22,23)/p-1/b18-11-