2-azanyl-6-[(4-bromophenyl)methylsulfanyl]-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(4-bromophenyl)methylsulfanyl]-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(4-bromophenyl)methylsulfanyl]-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(4-bromophenyl)methylthio]-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(4-bromophenyl)methylsulfanyl]-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(4-bromobenzyl)thio]-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C18H12BrN4S2+ MolecularWeight: 428.34868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C(=[NH+]C(=C2C#N)SCC3=CC=C(C=C3)Br)N)C#N

Isomeric SMILES

C1=CSC(=C1)C2=C(C(=[NH+]C(=C2C#N)SCC3=CC=C(C=C3)Br)N)C#N

InChI

InChI=1S/C18H11BrN4S2/c19-12-5-3-11(4-6-12)10-25-18-14(9-21)16(15-2-1-7-24-15)13(8-20)17(22)23-18/h1-7H,10H2,(H2,22,23)/p+1