propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-3-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enoate

Systemtic Name: propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-3-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enoate Openeye Name: isopropyl (E)-2-cyano-3-[2,5-dimethyl-3-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-3-(1,2,4-triazol-1-ylmethyl)phenyl]-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-3-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-3-(1,2,4-triazol-1-ylmethyl)phenyl]acrylic acid isopropyl ester Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=C(C#N)C(=O)OC(C)C)C)CN2C=NC=N2

Isomeric SMILES

CC1=CC(=C(C(=C1)/C=C(\C#N)/C(=O)OC(C)C)C)CN2C=NC=N2

InChI

InChI=1S/C18H20N4O2/c1-12(2)24-18(23)16(8-19)7-15-5-13(3)6-17(14(15)4)9-22-11-20-10-21-22/h5-7,10-12H,9H2,1-4H3/b16-7+