4-[4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-(4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(4-keto-2-thioxo-1H-quinazoline-7-carbonyl)piperazino]sulfonylbenzonitrile Formula: C20H17N5O4S2 MolecularWeight: 455.51008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H17N5O4S2/c21-12-13-1-4-15(5-2-13)31(28,29)25-9-7-24(8-10-25)19(27)14-3-6-16-17(11-14)22-20(30)23-18(16)26/h1-6,11H,7-10H2,(H2,22,23,26,30)