[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-(6-methylsulfonylimino-1-cyclohexa-2,4-dienylidene)methanolate IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazino]-(6-mesyliminocyclohexa-2,4-dien-1-ylidene)methanolate Formula: C17H19ClN3O3S2- MolecularWeight: 412.93406

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C1C=CC=CC1=C(N2CCN(CC2)CC3=CC=C(S3)Cl)[O-]

Isomeric SMILES

CS(=O)(=O)N=C1C=CC=CC1=C(N2CCN(CC2)CC3=CC=C(S3)Cl)[O-]

InChI

InChI=1S/C17H20ClN3O3S2/c1-26(23,24)19-15-5-3-2-4-14(15)17(22)21-10-8-20(9-11-21)12-13-6-7-16(18)25-13/h2-7,22H,8-12H2,1H3/p-1