N-[4-azanyl-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide

Systemtic Name: N-[4-azanyl-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide Openeye Name: N-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamide CAS Name: N-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide IUPAC Name: N-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide Traditional Name: N-[4-amino-6-(3,5,5-trimethyl-2-pyrazolin-1-yl)-s-triazin-2-yl]-4-chloro-2-mercapto-5-methyl-benzenesulfonamide Formula: C16H20ClN7O2S2 MolecularWeight: 441.9587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S)N

Isomeric SMILES

CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S)N

InChI

InChI=1S/C16H20ClN7O2S2/c1-8-5-12(11(27)6-10(8)17)28(25,26)23-14-19-13(18)20-15(21-14)24-16(3,4)7-9(2)22-24/h5-6,27H,7H2,1-4H3,(H3,18,19,20,21,23)