2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(6-pyrazol-1-ylpyridin-3-yl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(6-pyrazol-1-ylpyridin-3-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(6-pyrazol-1-yl-3-pyridyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[6-(1-pyrazolyl)-3-pyridinyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(6-pyrazol-1-ylpyridin-3-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(6-pyrazol-1-yl-3-pyridyl)benzamide Formula: C27H29N5O2S MolecularWeight: 487.61646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NC5=CN=C(C=C5)N6C=CC=N6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NC5=CN=C(C=C5)N6C=CC=N6

InChI

InChI=1S/C27H29N5O2S/c33-25(31-27-13-18-10-19(14-27)12-20(11-18)15-27)17-35-23-5-2-1-4-22(23)26(34)30-21-6-7-24(28-16-21)32-9-3-8-29-32/h1-9,16,18-20H,10-15,17H2,(H,30,34)(H,31,33)