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

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]propanamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]propionamide Formula: C25H27N5O2S MolecularWeight: 461.57918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2S/c1-17(23(31)28-24(32)26-20-15-9-4-10-16-20)33-25-27-21(18-11-5-2-6-12-18)22(29-30-25)19-13-7-3-8-14-19/h2-3,5-8,11-14,17,20H,4,9-10,15-16H2,1H3,(H2,26,28,31,32)