3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-ethylsulfanyl-quinazolin-4-one; ethane

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-ethylsulfanyl-quinazolin-4-one; ethane Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-ethylsulfanyl-quinazolin-4-one; ethane CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(ethylthio)-4-quinazolinone; ethane IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylsulfanylquinazolin-4-one; ethane Traditional Name: ethane; 2-(ethylthio)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)quinazolin-4-one Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCSC1=NC2=CC=CC=C2C(=O)N1C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC.CCSC1=NC2=CC=CC=C2C(=O)N1C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C21H20N4O2S.C2H6/c1-4-28-21-22-17-13-9-8-12-16(17)19(26)24(21)18-14(2)23(3)25(20(18)27)15-10-6-5-7-11-15;1-2/h5-13H,4H2,1-3H3;1-2H3