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

Systemtic Name: N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[4-(1H-benzimidazol-2-ylthio)phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[4-(1H-benzimidazol-2-ylthio)phenyl]-3-methyl-4-nitro-benzamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)SC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)SC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S/c1-13-12-14(6-11-19(13)25(27)28)20(26)22-15-7-9-16(10-8-15)29-21-23-17-4-2-3-5-18(17)24-21/h2-12H,1H3,(H,22,26)(H,23,24)