N-(2-chloranyl-5-nitro-phenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]propionamide Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN4O3S/c1-9-3-6-13-15(7-9)21-17(20-13)26-10(2)16(23)19-14-8-11(22(24)25)4-5-12(14)18/h3-8,10H,1-2H3,(H,19,23)(H,20,21)