N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(3-cyano-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-3-(phenylthio)propanamide IUPAC Name: N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(3-cyano-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-3-(phenylthio)propionamide Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H23N3OS2/c1-14(2)23-10-8-16-17(12-21)20(26-18(16)13-23)22-19(24)9-11-25-15-6-4-3-5-7-15/h3-7,14H,8-11,13H2,1-2H3,(H,22,24)/p+1