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

Systemtic Name: 2-[1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(4-cyanophenyl)ethanamide Openeye Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(4-cyanophenyl)acetamide CAS Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylthio]-N-(4-cyanophenyl)acetamide IUPAC Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(4-cyanophenyl)acetamide Traditional Name: 2-[1-(4-amino-6-anilino-s-triazin-2-yl)ethylthio]-N-(4-cyanophenyl)acetamide Formula: C20H19N7OS MolecularWeight: 405.47616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H19N7OS/c1-13(29-12-17(28)23-16-9-7-14(11-21)8-10-16)18-25-19(22)27-20(26-18)24-15-5-3-2-4-6-15/h2-10,13H,12H2,1H3,(H,23,28)(H3,22,24,25,26,27)