6-azanyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-azanyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-3-carbonitrile Openeye Name: 6-amino-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-5-(4-phenylthiazol-2-yl)pyridin-1-ium-3-carbonitrile CAS Name: 6-amino-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-5-(4-phenyl-2-thiazolyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-amino-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 6-amino-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-5-(4-phenylthiazol-2-yl)pyridin-1-ium-3-carbonitrile Formula: C26H22N5OS2+ MolecularWeight: 484.61578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=[NH+]C(=C(C=C3C#N)C4=NC(=CS4)C5=CC=CC=C5)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=[NH+]C(=C(C=C3C#N)C4=NC(=CS4)C5=CC=CC=C5)N

InChI

InChI=1S/C26H21N5OS2/c27-13-20-12-21(26-29-22(15-33-26)18-7-2-1-3-8-18)24(28)30-25(20)34-16-23(32)31-11-10-17-6-4-5-9-19(17)14-31/h1-9,12,15H,10-11,14,16H2,(H2,28,30)/p+1