6-[2,2-bis(phenylsulfonyl)ethenylamino]pyridine-3-carbothioamide

Systemtic Name: 6-[2,2-bis(phenylsulfonyl)ethenylamino]pyridine-3-carbothioamide Openeye Name: 6-[2,2-bis(benzenesulfonyl)vinylamino]pyridine-3-carbothioamide CAS Name: 6-[2,2-bis(benzenesulfonyl)ethenylamino]-3-pyridinecarbothioamide IUPAC Name: 6-[2,2-bis(benzenesulfonyl)ethenylamino]pyridine-3-carbothioamide Traditional Name: 6-(2,2-dibesylvinylamino)thionicotinamide Formula: C20H17N3O4S3 MolecularWeight: 459.56168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=NC=C(C=C2)C(=S)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=NC=C(C=C2)C(=S)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O4S3/c21-20(28)15-11-12-18(22-13-15)23-14-19(29(24,25)16-7-3-1-4-8-16)30(26,27)17-9-5-2-6-10-17/h1-14H,(H2,21,28)(H,22,23)