2-[2-(6-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[2-(6-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2-(6-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)ethylamino]-5-nitro-benzonitrile CAS Name: 2-[2-(6-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethylamino]-5-nitrobenzonitrile IUPAC Name: 2-[2-(6-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethylamino]-5-nitrobenzonitrile Traditional Name: 2-[2-(6-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)ethylamino]-5-nitro-benzonitrile Formula: C17H12ClN5O3S MolecularWeight: 401.82688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=S

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=S

InChI

InChI=1S/C17H12ClN5O3S/c18-11-1-3-15-13(8-11)16(24)22(17(27)21-15)6-5-20-14-4-2-12(23(25)26)7-10(14)9-19/h1-4,7-8,20H,5-6H2,(H,21,27)