2-azanyl-3-[6-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-yl]propanamide

Systemtic Name: 2-azanyl-3-[6-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-yl]propanamide Openeye Name: 2-amino-3-[6-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-2-pyridyl]propanamide CAS Name: 2-amino-3-[6-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]-2-pyridinyl]propanamide IUPAC Name: 2-amino-3-[6-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-yl]propanamide Traditional Name: 2-amino-3-[6-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]-2-pyridyl]propionamide Formula: C16H16N6O3S MolecularWeight: 372.40164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])CC(C(=O)N)N

Isomeric SMILES

C1=CC(=NC(=C1)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])CC(C(=O)N)N

InChI

InChI=1S/C16H16N6O3S/c17-12(15(18)23)6-9-2-1-3-10(19-9)8-26-16-20-13-5-4-11(22(24)25)7-14(13)21-16/h1-5,7,12H,6,8,17H2,(H2,18,23)(H,20,21)