(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(cyanomethylsulfanyl)benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(cyanomethylsulfanyl)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(cyanomethylsulfanyl)benzoate CAS Name: 2-(cyanomethylthio)benzoic 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-(cyanomethylsulfanyl)benzoate Traditional Name: 2-(cyanomethylthio)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H16N6O2S MolecularWeight: 392.43434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C19H16N6O2S/c20-10-11-28-15-9-5-4-8-14(15)17(26)27-12-16-23-18(21)25-19(24-16)22-13-6-2-1-3-7-13/h1-9H,11-12H2,(H3,21,22,23,24,25)