N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-[(2-chlorophenyl)methyl]-3-pyrazolyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-(2-chlorobenzyl)pyrazol-3-yl]-4-(methylthio)-3-nitro-benzamide Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=CC=NN2CC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=CC=NN2CC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O3S/c1-27-16-7-6-12(10-15(16)23(25)26)18(24)21-17-8-9-20-22(17)11-13-4-2-3-5-14(13)19/h2-10H,11H2,1H3,(H,21,24)