3-[(4-chlorophenyl)methyl]-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[(4-chlorophenyl)methyl]-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(4-chlorophenyl)methyl]-7-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[(4-chlorophenyl)methyl]-7-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(4-chlorophenyl)methyl]-7-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(4-chlorobenzyl)-7-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-thioxo-quinazolin-4-olate Formula: C25H22ClN5O2S MolecularWeight: 491.99248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H22ClN5O2S/c26-19-7-4-17(5-8-19)16-31-24(33)20-9-6-18(15-21(20)28-25(31)34)23(32)30-13-11-29(12-14-30)22-3-1-2-10-27-22/h1-10,15,33H,11-14,16H2