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

Systemtic Name: N-(4-bromophenyl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]propanamide IUPAC Name: N-(4-bromophenyl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]propionamide Formula: C24H19BrN4OS MolecularWeight: 491.40286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C24H19BrN4OS/c25-19-11-13-20(14-12-19)26-21(30)15-16-31-24-27-22(17-7-3-1-4-8-17)23(28-29-24)18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,30)