(5-chloranyl-1-methyl-imidazol-2-yl)methyl (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H17ClN4O2S/c1-25-18(22)12-23-19(25)14-28-20(27)10-9-15-13-26(16-6-3-2-4-7-16)24-21(15)17-8-5-11-29-17/h2-13H,14H2,1H3/b10-9+