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

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-thiophen-2-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-[oxo(thiophen-2-yl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(2-thenoyl)acrylonitrile Formula: C18H12ClN3OS MolecularWeight: 353.82538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)C2=CC=CS2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)C2=CC=CS2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H12ClN3OS/c1-12-15(10-13(11-20)17(23)16-8-5-9-24-16)18(19)22(21-12)14-6-3-2-4-7-14/h2-10H,1H3/b13-10+