2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]-N-(2-pyrimidyl)acetamide Formula: C23H20N6OS MolecularWeight: 428.5095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=NC=CC=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=NC=CC=N3)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H20N6OS/c1-15-4-8-17(9-5-15)20-21(18-10-6-16(2)7-11-18)28-29-23(27-20)31-14-19(30)26-22-24-12-3-13-25-22/h3-13H,14H2,1-2H3,(H,24,25,26,30)