4-chloranyl-N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-[(2-chlorophenyl)methylthio]-4-cyano-1H-pyrazol-5-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-[(2-chlorobenzyl)thio]-4-cyano-1H-pyrazol-5-yl]-3-nitro-benzamide Formula: C18H11Cl2N5O3S MolecularWeight: 448.28264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NNC(=C2C#N)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NNC(=C2C#N)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H11Cl2N5O3S/c19-13-4-2-1-3-11(13)9-29-18-12(8-21)16(23-24-18)22-17(26)10-5-6-14(20)15(7-10)25(27)28/h1-7H,9H2,(H2,22,23,24,26)