N-(1-cyanocyclohexyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-methyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-methyl-acetamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4(CCCCC4)C#N

InChI

InChI=1S/C25H25N5OS/c1-30(25(18-26)15-9-4-10-16-25)21(31)17-32-24-27-22(19-11-5-2-6-12-19)23(28-29-24)20-13-7-3-8-14-20/h2-3,5-8,11-14H,4,9-10,15-17H2,1H3