5-azanyl-3-(phenylmethyl)-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-(phenylmethyl)-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-4-carbonitrile Openeye Name: 5-amino-3-benzyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-(phenylmethyl)-1-(2,4,6-trichlorophenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-benzyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-benzyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carbonitrile Formula: C17H11Cl3N4 MolecularWeight: 377.65504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN(C(=C2C#N)N)C3=C(C=C(C=C3Cl)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN(C(=C2C#N)N)C3=C(C=C(C=C3Cl)Cl)Cl

InChI

InChI=1S/C17H11Cl3N4/c18-11-7-13(19)16(14(20)8-11)24-17(22)12(9-21)15(23-24)6-10-4-2-1-3-5-10/h1-5,7-8H,6,22H2