1-(4-chlorophenyl)-3-[(E)-C-methyl-N-phenylazanyl-carbonimidoyl]pyrazole-4-carbonitrile

Systemtic Name: 1-(4-chlorophenyl)-3-[(E)-C-methyl-N-phenylazanyl-carbonimidoyl]pyrazole-4-carbonitrile Openeye Name: 3-[(E)-N-anilino-C-methyl-carbonimidoyl]-1-(4-chlorophenyl)pyrazole-4-carbonitrile CAS Name: 1-(4-chlorophenyl)-3-[(1E)-1-(phenylhydrazinylidene)ethyl]-4-pyrazolecarbonitrile IUPAC Name: 3-[(E)-N-anilino-C-methylcarbonimidoyl]-1-(4-chlorophenyl)pyrazole-4-carbonitrile Traditional Name: 3-[(E)-N-anilino-C-methyl-carbonimidoyl]-1-(4-chlorophenyl)pyrazole-4-carbonitrile Formula: C18H14ClN5 MolecularWeight: 335.79026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC=CC=C1)C2=NN(C=C2C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C/C(=N\NC1=CC=CC=C1)/C2=NN(C=C2C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClN5/c1-13(21-22-16-5-3-2-4-6-16)18-14(11-20)12-24(23-18)17-9-7-15(19)8-10-17/h2-10,12,22H,1H3/b21-13+