6-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(4H-3,1-benzothiazin-2-ylthio)methyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4H-3,1-benzothiazin-2-ylthio)methyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C19H18N6S2 MolecularWeight: 394.51642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4CS3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4CS3

InChI

InChI=1S/C19H18N6S2/c1-12-6-2-4-8-14(12)21-18-24-16(23-17(20)25-18)11-27-19-22-15-9-5-3-7-13(15)10-26-19/h2-9H,10-11H2,1H3,(H3,20,21,23,24,25)