2-azanyl-5-[(5-bromanylthiophen-2-yl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile

Systemtic Name: 2-azanyl-5-[(5-bromanylthiophen-2-yl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(5-bromo-2-thienyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-5-[(5-bromo-2-thiophenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-5-[(5-bromothiophen-2-yl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-5-[(5-bromo-2-thienyl)methylene]-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C17H12BrN4S+ MolecularWeight: 384.27298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(S3)Br)C(=C(C(=[NH+]2)N)C#N)C)C#N

Isomeric SMILES

CC1=C(C2=C(C1=CC3=CC=C(S3)Br)C(=C(C(=[NH+]2)N)C#N)C)C#N

InChI

InChI=1S/C17H11BrN4S/c1-8-11(5-10-3-4-14(18)23-10)15-9(2)13(7-20)17(21)22-16(15)12(8)6-19/h3-5H,1-2H3,(H2,21,22)/p+1