(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(4-bromophenyl)sulfanylethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]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-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H16BrN5O2S MolecularWeight: 446.32094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5O2S/c19-12-6-8-14(9-7-12)27-11-16(25)26-10-15-22-17(20)24-18(23-15)21-13-4-2-1-3-5-13/h1-9H,10-11H2,(H3,20,21,22,23,24)