2-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-[3-(2-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-5-nitro-benzonitrile CAS Name: 2-[[3-(2-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[[3-(2-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-5-nitro-benzonitrile Formula: C21H11ClN4O3S MolecularWeight: 434.85504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H11ClN4O3S/c22-16-6-2-4-8-18(16)25-20(27)15-5-1-3-7-17(15)24-21(25)30-19-10-9-14(26(28)29)11-13(19)12-23/h1-11H