4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-3-nitro-benzonitrile CAS Name: 4-[[4-(ethylamino)-2-quinazolinyl]thio]-3-nitrobenzonitrile IUPAC Name: 4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-3-nitrobenzonitrile Traditional Name: 4-[[4-(ethylamino)quinazolin-2-yl]thio]-3-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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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