2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-3-(4-fluorophenyl)quinazolin-4-one Formula: C20H16FN5O2S MolecularWeight: 409.436743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)N

InChI

InChI=1S/C20H16FN5O2S/c1-12-10-17(22)24-26(12)18(27)11-29-20-23-16-5-3-2-4-15(16)19(28)25(20)14-8-6-13(21)7-9-14/h2-10H,11H2,1H3,(H2,22,24)