3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-pyridin-2-yl-prop-2-enenitrile

Systemtic Name: 3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-pyridin-2-yl-prop-2-enenitrile Openeye Name: 3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(2-pyridyl)prop-2-enenitrile CAS Name: 3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-(2-pyridinyl)-2-propenenitrile IUPAC Name: 3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile Traditional Name: 3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(2-pyridyl)acrylonitrile Formula: C18H13ClN4 MolecularWeight: 320.77562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C2=CC=CC=N2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C=C(C#N)C2=CC=CC=N2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H13ClN4/c1-13-16(11-14(12-20)17-9-5-6-10-21-17)18(19)23(22-13)15-7-3-2-4-8-15/h2-11H,1H3