(2R)-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C16H13ClN4O3S MolecularWeight: 376.81742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN4O3S/c1-9(15(22)18-12-4-2-3-5-14(12)21(23)24)25-16-19-11-7-6-10(17)8-13(11)20-16/h2-9H,1H3,(H,18,22)(H,19,20)/t9-/m1/s1