3-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[methyl-[[4-(methylthio)phenyl]methyl]amino]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[methyl-[4-(methylthio)benzyl]amino]methyl]-1,2,3-benzotriazin-4-one Formula: C17H18N4OS MolecularWeight: 326.41602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)CN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H18N4OS/c1-20(11-13-7-9-14(23-2)10-8-13)12-21-17(22)15-5-3-4-6-16(15)18-19-21/h3-10H,11-12H2,1-2H3