(E)-2-morpholin-4-ylcarbonyl-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-morpholin-4-ylcarbonyl-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(morpholine-4-carbonyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-[4-morpholinyl(oxo)methyl]-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(morpholine-4-carbonyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(morpholine-4-carbonyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylonitrile Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1COCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C21H18N4O2S/c22-14-16(21(26)24-8-10-27-11-9-24)13-17-15-25(18-5-2-1-3-6-18)23-20(17)19-7-4-12-28-19/h1-7,12-13,15H,8-11H2/b16-13+