(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-naphthalen-2-ylsulfanylethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H19N5O2S MolecularWeight: 417.48356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H19N5O2S/c23-21-25-19(26-22(27-21)24-17-8-2-1-3-9-17)13-29-20(28)14-30-18-11-10-15-6-4-5-7-16(15)12-18/h1-12H,13-14H2,(H3,23,24,25,26,27)