5-azanyl-1-(3-chloranyl-4-methyl-phenyl)-3-(cyanomethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(3-chloranyl-4-methyl-phenyl)-3-(cyanomethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(3-chloro-4-methyl-phenyl)-3-(cyanomethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(3-chloro-4-methylphenyl)-3-(cyanomethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(3-chloro-4-methylphenyl)-3-(cyanomethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(3-chloro-4-methyl-phenyl)-3-(cyanomethyl)pyrazole-4-carbonitrile Formula: C13H10ClN5 MolecularWeight: 271.705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)CC#N)C#N)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)CC#N)C#N)N)Cl

InChI

InChI=1S/C13H10ClN5/c1-8-2-3-9(6-11(8)14)19-13(17)10(7-16)12(18-19)4-5-15/h2-3,6H,4,17H2,1H3