2-[4-oxidanylidene-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[4-(2-thienylsulfonyl)piperazino]methyl]quinazolin-3-yl]acetonitrile Formula: C19H19N5O3S2 MolecularWeight: 429.51586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=O)N2CC#N)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=O)N2CC#N)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H19N5O3S2/c20-7-8-24-17(21-16-5-2-1-4-15(16)19(24)25)14-22-9-11-23(12-10-22)29(26,27)18-6-3-13-28-18/h1-6,13H,8-12,14H2