4-[4-ethyl-5-(2-phenylquinazolin-4-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine

Systemtic Name: 4-[4-ethyl-5-(2-phenylquinazolin-4-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine Openeye Name: 4-[4-ethyl-5-(2-phenylquinazolin-4-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine CAS Name: 4-[4-ethyl-5-[(2-phenyl-4-quinazolinyl)thio]-1,2,4-triazol-3-yl]morpholine IUPAC Name: 4-[4-ethyl-5-(2-phenylquinazolin-4-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine Traditional Name: 4-[4-ethyl-5-[(2-phenylquinazolin-4-yl)thio]-1,2,4-triazol-3-yl]morpholine Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

CCN1C(=NN=C1SC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C22H22N6OS/c1-2-28-21(27-12-14-29-15-13-27)25-26-22(28)30-20-17-10-6-7-11-18(17)23-19(24-20)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3