3,6-dimethyl-3-phenyl-2,4-dihydro-1,3-benzothiazin-3-ium-8-carbonitrile

Systemtic Name: 3,6-dimethyl-3-phenyl-2,4-dihydro-1,3-benzothiazin-3-ium-8-carbonitrile Openeye Name: 3,6-dimethyl-3-phenyl-2,4-dihydro-1,3-benzothiazin-3-ium-8-carbonitrile CAS Name: 3,6-dimethyl-3-phenyl-2,4-dihydro-1,3-benzothiazin-3-ium-8-carbonitrile IUPAC Name: 3,6-dimethyl-3-phenyl-2,4-dihydro-1,3-benzothiazin-3-ium-8-carbonitrile Traditional Name: 3,6-dimethyl-3-phenyl-2,4-dihydro-1,3-benzothiazin-3-ium-8-carbonitrile Formula: C17H17N2S+ MolecularWeight: 281.39528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C#N)SC[N+](C2)(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C(=C1)C#N)SC[N+](C2)(C)C3=CC=CC=C3

InChI

InChI=1S/C17H17N2S/c1-13-8-14(10-18)17-15(9-13)11-19(2,12-20-17)16-6-4-3-5-7-16/h3-9H,11-12H2,1-2H3/q+1