N-(diphenylmethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(diphenylmethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-benzhydryl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(diphenylmethyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-benzhydryl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-benzhydryl-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C21H20N2O2S MolecularWeight: 364.4607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H20N2O2S/c1-16(26-19-14-8-9-15-23(19)25)21(24)22-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,20H,1H3,(H,22,24)