N2-(2-methylphenyl)-6-[(6-methylsulfonylbenzotriazol-1-yl)oxymethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(2-methylphenyl)-6-[(6-methylsulfonylbenzotriazol-1-yl)oxymethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(6-methylsulfonylbenzotriazol-1-yl)oxymethyl]-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methylphenyl)-6-[(6-methylsulfonyl-1-benzotriazolyl)oxymethyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methylphenyl)-6-[(6-methylsulfonylbenzotriazol-1-yl)oxymethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(6-mesylbenzotriazol-1-yl)oxymethyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C18H18N8O3S MolecularWeight: 426.45232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CON3C4=C(C=CC(=C4)S(=O)(=O)C)N=N3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CON3C4=C(C=CC(=C4)S(=O)(=O)C)N=N3

InChI

InChI=1S/C18H18N8O3S/c1-11-5-3-4-6-13(11)20-18-22-16(21-17(19)23-18)10-29-26-15-9-12(30(2,27)28)7-8-14(15)24-25-26/h3-9H,10H2,1-2H3,(H3,19,20,21,22,23)