2-azanyl-6-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-phenyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 2-azanyl-6-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-phenyl-pyridin-1-ium-3-carboxamide Openeye Name: 2-amino-6-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-5-cyano-N-phenyl-pyridin-1-ium-3-carboxamide CAS Name: 2-amino-6-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-5-cyano-N-phenyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-amino-6-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-5-cyano-N-phenylpyridin-1-ium-3-carboxamide Traditional Name: 2-amino-6-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-5-cyano-N-phenyl-pyridin-1-ium-3-carboxamide Formula: C22H18N5O4S+ MolecularWeight: 448.47442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=[NH+]C(=C(C=C3C#N)C(=O)NC4=CC=CC=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=[NH+]C(=C(C=C3C#N)C(=O)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H17N5O4S/c23-10-13-8-16(21(29)26-14-4-2-1-3-5-14)20(24)27-22(13)32-11-19(28)25-15-6-7-17-18(9-15)31-12-30-17/h1-9H,11-12H2,(H2,24,27)(H,25,28)(H,26,29)/p+1