2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]methyl]-1,3-benzothiazole Formula: C25H20N4S2 MolecularWeight: 440.5831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)C

InChI

InChI=1S/C25H20N4S2/c1-16-7-11-18(12-8-16)23-24(19-13-9-17(2)10-14-19)28-29-25(27-23)30-15-22-26-20-5-3-4-6-21(20)31-22/h3-14H,15H2,1-2H3