2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-[4-[(2S)-butan-2-yl]phenyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-[4-[(2S)-butan-2-yl]phenyl]ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]sulfanyl-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridin-1-iumyl)thio]-N-[4-[(2S)-butan-2-yl]phenyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-1-ium-2-yl)sulfanyl-N-[4-[(2S)-butan-2-yl]phenyl]acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]thio]-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C23H22N5OS2+ MolecularWeight: 448.58368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N

InChI

InChI=1S/C23H21N5OS2/c1-3-14(2)15-6-8-16(9-7-15)27-20(29)13-31-23-18(12-25)21(19-5-4-10-30-19)17(11-24)22(26)28-23/h4-10,14H,3,13H2,1-2H3,(H2,26,28)(H,27,29)/p+1/t14-/m0/s1