N,N-diethyl-4-[4-(2-phenoxyethylsulfanyl)quinazolin-2-yl]aniline

Systemtic Name: N,N-diethyl-4-[4-(2-phenoxyethylsulfanyl)quinazolin-2-yl]aniline Openeye Name: N,N-diethyl-4-[4-(2-phenoxyethylsulfanyl)quinazolin-2-yl]aniline CAS Name: N,N-diethyl-4-[4-(2-phenoxyethylthio)-2-quinazolinyl]aniline IUPAC Name: N,N-diethyl-4-[4-(2-phenoxyethylsulfanyl)quinazolin-2-yl]aniline Traditional Name: diethyl-[4-[4-(2-phenoxyethylthio)quinazolin-2-yl]phenyl]amine Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCCOC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCCOC4=CC=CC=C4

InChI

InChI=1S/C26H27N3OS/c1-3-29(4-2)21-16-14-20(15-17-21)25-27-24-13-9-8-12-23(24)26(28-25)31-19-18-30-22-10-6-5-7-11-22/h5-17H,3-4,18-19H2,1-2H3