2,4-bis(chloranyl)-N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2,4-dichloro-benzamide CAS Name: 2,4-dichloro-N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2,4-dichlorobenzamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-2,4-dichloro-benzamide Formula: C18H12Cl2N4OS MolecularWeight: 403.28508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H12Cl2N4OS/c19-12-6-7-13(15(20)8-12)17(25)22-16-14(9-21)18(24-23-16)26-10-11-4-2-1-3-5-11/h1-8H,10H2,(H2,22,23,24,25)