5-(propan-2-ylsulfanylamino)-1-[2,3,4-tris(chloranyl)phenyl]pyrazole-4-carbonitrile

Systemtic Name: 5-(propan-2-ylsulfanylamino)-1-[2,3,4-tris(chloranyl)phenyl]pyrazole-4-carbonitrile Openeye Name: 5-(isopropylsulfanylamino)-1-(2,3,4-trichlorophenyl)pyrazole-4-carbonitrile CAS Name: N-[4-cyano-2-(2,3,4-trichlorophenyl)-3-pyrazolyl]-2-propanesulfenamide IUPAC Name: 5-(propan-2-ylsulfanylamino)-1-(2,3,4-trichlorophenyl)pyrazole-4-carbonitrile Traditional Name: 5-[(isopropylthio)amino]-1-(2,3,4-trichlorophenyl)pyrazole-4-carbonitrile Formula: C13H11Cl3N4S MolecularWeight: 361.67724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SNC1=C(C=NN1C2=C(C(=C(C=C2)Cl)Cl)Cl)C#N

Isomeric SMILES

CC(C)SNC1=C(C=NN1C2=C(C(=C(C=C2)Cl)Cl)Cl)C#N

InChI

InChI=1S/C13H11Cl3N4S/c1-7(2)21-19-13-8(5-17)6-18-20(13)10-4-3-9(14)11(15)12(10)16/h3-4,6-7,19H,1-2H3