2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3-bromophenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3-bromophenyl)ethanamide Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3-bromophenyl)acetamide CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-N-(3-bromophenyl)acetamide IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3-bromophenyl)acetamide Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-N-(3-bromophenyl)acetamide Formula: C18H17BrN6OS MolecularWeight: 445.33618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H17BrN6OS/c19-12-5-4-8-14(9-12)21-16(26)11-27-10-15-23-17(20)25-18(24-15)22-13-6-2-1-3-7-13/h1-9H,10-11H2,(H,21,26)(H3,20,22,23,24,25)