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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

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