N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-4-chloro-3-nitro-benzamide CAS Name: N-[4-(1H-benzimidazol-2-ylthio)phenyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[4-(1H-benzimidazol-2-ylthio)phenyl]-4-chloro-3-nitro-benzamide Formula: C20H13ClN4O3S MolecularWeight: 424.86022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H13ClN4O3S/c21-15-10-5-12(11-18(15)25(27)28)19(26)22-13-6-8-14(9-7-13)29-20-23-16-3-1-2-4-17(16)24-20/h1-11H,(H,22,26)(H,23,24)