3-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)propanamide

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)propanamide Openeye Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]-N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanyl-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]-N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)propionamide Formula: C26H22N6OS2 MolecularWeight: 498.62248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=C1C#N)SCCC(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C#N)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=NC(=C1C#N)SCCC(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C#N)N)C#N

InChI

InChI=1S/C26H22N6OS2/c1-14(2)22-19(12-28)24(30)32-25(20(22)13-29)34-10-9-21(33)31-26-18(11-27)17-8-7-15-5-3-4-6-16(15)23(17)35-26/h3-6,14H,7-10H2,1-2H3,(H2,30,32)(H,31,33)