[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate

Systemtic Name: [4-[(4-cyanophenyl)methyl]piperazin-1-yl]-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Openeye Name: [4-[(4-cyanophenyl)methyl]piperazin-1-yl]-[4-(2-thienylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: [4-[(4-cyanophenyl)methyl]-1-piperazinyl]-(4-thiophen-2-ylsulfonylimino-1-cyclohexa-2,5-dienylidene)methanolate IUPAC Name: [4-[(4-cyanophenyl)methyl]piperazin-1-yl]-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Traditional Name: [4-(4-cyanobenzyl)piperazino]-[4-(2-thienylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C23H21N4O3S2- MolecularWeight: 465.56784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=C3C=CC(=NS(=O)(=O)C4=CC=CS4)C=C3)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=C3C=CC(=NS(=O)(=O)C4=CC=CS4)C=C3)[O-]

InChI

InChI=1S/C23H22N4O3S2/c24-16-18-3-5-19(6-4-18)17-26-11-13-27(14-12-26)23(28)20-7-9-21(10-8-20)25-32(29,30)22-2-1-15-31-22/h1-10,15,28H,11-14,17H2/p-1