2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline

Systemtic Name: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline Openeye Name: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline CAS Name: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(3-fluorophenyl)methylthio]-[1,2,4]triazolo[1,5-c]quinazoline IUPAC Name: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline Traditional Name: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(3-fluorobenzyl)thio]-[1,2,4]triazolo[1,5-c]quinazoline Formula: C23H21FN6S MolecularWeight: 432.516443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C(=NN1)C)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)F

InChI

InChI=1S/C23H21FN6S/c1-14-18(15(2)28-27-14)10-11-21-26-22-19-8-3-4-9-20(19)25-23(30(22)29-21)31-13-16-6-5-7-17(24)12-16/h3-9,12H,10-11,13H2,1-2H3,(H,27,28)