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

Systemtic Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide Openeye Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide CAS Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(4-methoxyphenyl)propanamide IUPAC Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide Traditional Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(4-methoxyphenyl)propionamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CCSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CCSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O2S/c1-31-21-14-12-20(13-15-21)26-22(30)16-17-32-25-27-23(18-8-4-2-5-9-18)24(28-29-25)19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,26,30)