2-[[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylidene]propanedinitrile Openeye Name: 2-[[5-chloro-3-methyl-1-(p-tolylmethyl)pyrazol-4-yl]methylene]propanedinitrile CAS Name: 2-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]methylidene]propanedinitrile IUPAC Name: 2-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylidene]propanedinitrile Traditional Name: 2-[[5-chloro-3-methyl-1-(4-methylbenzyl)pyrazol-4-yl]methylene]malononitrile Formula: C16H13ClN4 MolecularWeight: 296.75422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=C(C#N)C#N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=C(C#N)C#N)Cl

InChI

InChI=1S/C16H13ClN4/c1-11-3-5-13(6-4-11)10-21-16(17)15(12(2)20-21)7-14(8-18)9-19/h3-7H,10H2,1-2H3