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

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C21H21N7OS MolecularWeight: 419.50274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C21H21N7OS/c22-20-24-18(25-21(26-20)23-16-9-5-2-6-10-16)13-30-14-19(29)28-12-11-17(27-28)15-7-3-1-4-8-15/h1-10H,11-14H2,(H3,22,23,24,25,26)