7-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C19H16ClN5O4S MolecularWeight: 445.87944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C19H16ClN5O4S/c20-12-2-4-15(16(10-12)25(28)29)23-5-7-24(8-6-23)18(27)11-1-3-13-14(9-11)21-19(30)22-17(13)26/h1-4,9-10H,5-8H2,(H2,21,22,26,30)