2-[2-(3,5-diphenylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenylazanyl-quinazolin-4-one

Systemtic Name: 2-[2-(3,5-diphenylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenylazanyl-quinazolin-4-one Openeye Name: 3-anilino-2-[2-(3,5-diphenylpyrazol-1-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-anilino-2-[[2-(3,5-diphenyl-1-pyrazolyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-anilino-2-[2-(3,5-diphenylpyrazol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-anilino-2-[[2-(3,5-diphenylpyrazol-1-yl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C31H23N5O2S MolecularWeight: 529.61162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN2C(=O)CSC3=NC4=CC=CC=C4C(=O)N3NC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN2C(=O)CSC3=NC4=CC=CC=C4C(=O)N3NC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H23N5O2S/c37-29(35-28(23-14-6-2-7-15-23)20-27(34-35)22-12-4-1-5-13-22)21-39-31-32-26-19-11-10-18-25(26)30(38)36(31)33-24-16-8-3-9-17-24/h1-20,33H,21H2