3,3-dimethyl-8-phenyl-6-[(phenylmethyl)amino]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,3-dimethyl-8-phenyl-6-[(phenylmethyl)amino]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(benzylamino)-3,3-dimethyl-8-phenyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-8-phenyl-6-[(phenylmethyl)amino]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(benzylamino)-3,3-dimethyl-8-phenyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(benzylamino)-3,3-dimethyl-8-phenyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C24H24N3S+ MolecularWeight: 386.53246

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CS1)C3=CC=CC=C3)NCC4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CS1)C3=CC=CC=C3)NCC4=CC=CC=C4)C#N)C

InChI

InChI=1S/C24H23N3S/c1-24(2)13-19-20(14-25)23(26-15-17-9-5-3-6-10-17)27-22(21(19)16-28-24)18-11-7-4-8-12-18/h3-12H,13,15-16H2,1-2H3,(H,26,27)/p+1