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

Systemtic Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cycloheptyl-ethanamide Openeye Name: 2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]-N-cycloheptyl-acetamide Formula: C26H30N4OS MolecularWeight: 446.6076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3CCCCCC3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3CCCCCC3)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H30N4OS/c1-18-9-13-20(14-10-18)24-25(21-15-11-19(2)12-16-21)29-30-26(28-24)32-17-23(31)27-22-7-5-3-4-6-8-22/h9-16,22H,3-8,17H2,1-2H3,(H,27,31)