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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]propionamide Formula: C25H19N5OS2 MolecularWeight: 469.58126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCC(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCC(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C25H19N5OS2/c31-21(27-24-26-19-13-7-8-14-20(19)33-24)15-16-32-25-28-22(17-9-3-1-4-10-17)23(29-30-25)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,26,27,31)