2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-5-nitro-benzonitrile CAS Name: 2-[[4-(ethylamino)-2-quinazolinyl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[[4-(ethylamino)quinazolin-2-yl]thio]-5-nitro-benzonitrile Formula: C17H13N5O2S MolecularWeight: 351.38242

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H13N5O2S/c1-2-19-16-13-5-3-4-6-14(13)20-17(21-16)25-15-8-7-12(22(23)24)9-11(15)10-18/h3-9H,2H2,1H3,(H,19,20,21)