2-[1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylthio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[1-(4-amino-6-anilino-s-triazin-2-yl)ethylthio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C22H23N7OS MolecularWeight: 433.52932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N7OS/c1-15(20-25-21(23)27-22(26-20)24-17-10-6-3-7-11-17)31-14-19(30)29-13-12-18(28-29)16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H3,23,24,25,26,27)