3-[(2-aminophenyl)sulfanylmethyl]-1-oxidanylidene-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carbonitrile

Systemtic Name: 3-[(2-aminophenyl)sulfanylmethyl]-1-oxidanylidene-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carbonitrile Openeye Name: 3-[(2-aminophenyl)sulfanylmethyl]-1-oxo-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carbonitrile CAS Name: 3-[[(2-aminophenyl)thio]methyl]-1-oxo-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carbonitrile IUPAC Name: 3-[(2-aminophenyl)sulfanylmethyl]-1-oxo-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carbonitrile Traditional Name: 3-[[(2-aminophenyl)thio]methyl]-1-keto-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carbonitrile Formula: C19H14N3OS2+ MolecularWeight: 364.46396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)SCC2=CC(=O)[N+]3=C4C=CC=CC4SC3=C2C#N

Isomeric SMILES

C1=CC=C(C(=C1)N)SCC2=CC(=O)[N+]3=C4C=CC=CC4SC3=C2C#N

InChI

InChI=1S/C19H14N3OS2/c20-10-13-12(11-24-16-7-3-1-5-14(16)21)9-18(23)22-15-6-2-4-8-17(15)25-19(13)22/h1-9,17H,11,21H2/q+1