4-[(4-phenylsulfanylquinazolin-2-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(4-phenylsulfanylquinazolin-2-yl)amino]benzenecarbonitrile Openeye Name: 4-[(4-phenylsulfanylquinazolin-2-yl)amino]benzonitrile CAS Name: 4-[[4-(phenylthio)-2-quinazolinyl]amino]benzonitrile IUPAC Name: 4-[(4-phenylsulfanylquinazolin-2-yl)amino]benzonitrile Traditional Name: 4-[[4-(phenylthio)quinazolin-2-yl]amino]benzonitrile Formula: C21H14N4S MolecularWeight: 354.42766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC(=NC3=CC=CC=C32)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC(=NC3=CC=CC=C32)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H14N4S/c22-14-15-10-12-16(13-11-15)23-21-24-19-9-5-4-8-18(19)20(25-21)26-17-6-2-1-3-7-17/h1-13H,(H,23,24,25)