N-[3-[3-cyclopropyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[3-cyclopropyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-cyclopropyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-cyclopropyl-5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-cyclopropyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-cyclopropyl-5-[(4-keto-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5CC5

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5CC5

InChI

InChI=1S/C22H20N6O2S/c1-13(29)23-15-5-4-6-16(11-15)28-20(14-9-10-14)26-27-22(28)31-12-19-24-18-8-3-2-7-17(18)21(30)25-19/h2-8,11,14H,9-10,12H2,1H3,(H,23,29)(H,24,25,30)