2-[[4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[[4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methylthio]-6-methyl-nicotinonitrile Formula: C19H16ClN7OS MolecularWeight: 425.89464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)C#N)C(=O)C

InChI

InChI=1S/C19H16ClN7OS/c1-10-15(11(2)28)7-12(8-21)17(23-10)29-9-16-25-18(22)27-19(26-16)24-14-5-3-13(20)4-6-14/h3-7H,9H2,1-2H3,(H3,22,24,25,26,27)