6-[(5-chloranyl-2-methoxy-phenyl)methylsulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(5-chloranyl-2-methoxy-phenyl)methylsulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(5-chloro-2-methoxy-phenyl)methylsulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(5-chloro-2-methoxyphenyl)methylthio]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(5-chloro-2-methoxyphenyl)methylsulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(5-chloro-2-methoxy-benzyl)thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C18H18ClN5OS/c1-25-15-8-7-13(19)9-12(15)10-26-11-16-22-17(20)24-18(23-16)21-14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H3,20,21,22,23,24)