2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]quinazolin-4-olate CAS Name: 2-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]methylthio]-4-quinazolinolate IUPAC Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)benzyl]thio]quinazolin-4-olate Formula: C20H17N4OS- MolecularWeight: 361.44018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=N3)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=N3)[O-])C

InChI

InChI=1S/C20H18N4OS/c1-13-11-14(2)24(23-13)16-9-7-15(8-10-16)12-26-20-21-18-6-4-3-5-17(18)19(25)22-20/h3-11H,12H2,1-2H3,(H,21,22,25)/p-1