2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one

Systemtic Name: 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[(5-phenylisoxazol-3-yl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[(5-phenyl-3-isoxazolyl)methylthio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[(5-phenylisoxazol-3-yl)methylthio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C20H14N6O2S MolecularWeight: 402.42916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=NN5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=NN5

InChI

InChI=1S/C20H14N6O2S/c27-18-15-8-4-5-9-16(15)23-20(26(18)19-21-12-22-24-19)29-11-14-10-17(28-25-14)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,21,22,24)