2-butyl-8-(4-phenylsulfanylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

Systemtic Name: 2-butyl-8-(4-phenylsulfanylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine Openeye Name: 2-butyl-8-(4-phenylsulfanylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine CAS Name: 2-butyl-8-[4-(phenylthio)phenyl]-4-pyrazolo[1,5-a][1,3,5]triazinamine IUPAC Name: 2-butyl-8-(4-phenylsulfanylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine Traditional Name: [2-butyl-8-[4-(phenylthio)phenyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amine Formula: C21H21N5S MolecularWeight: 375.48994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=NN2C(=N1)N)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC2=C(C=NN2C(=N1)N)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H21N5S/c1-2-3-9-19-24-20-18(14-23-26(20)21(22)25-19)15-10-12-17(13-11-15)27-16-7-5-4-6-8-16/h4-8,10-14H,2-3,9H2,1H3,(H2,22,24,25)