(E)-2-(2-methylfuran-3-yl)carbonyl-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(2-methylfuran-3-yl)carbonyl-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(2-methylfuran-3-carbonyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-[(2-methyl-3-furanyl)-oxomethyl]-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(2-methylfuran-3-carbonyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(2-methyl-3-furoyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylonitrile Formula: C22H15N3O2S MolecularWeight: 385.4384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C=CO1)C(=O)/C(=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C22H15N3O2S/c1-15-19(9-10-27-15)22(26)16(13-23)12-17-14-25(18-6-3-2-4-7-18)24-21(17)20-8-5-11-28-20/h2-12,14H,1H3/b16-12+