N-[5-(2-azanylethylsulfanyl)-3-methoxy-pyrazin-2-yl]-3-chloranyl-6-sulfanylidene-cyclohexa-1,3-diene-1-sulfonamide

Systemtic Name: N-[5-(2-azanylethylsulfanyl)-3-methoxy-pyrazin-2-yl]-3-chloranyl-6-sulfanylidene-cyclohexa-1,3-diene-1-sulfonamide Openeye Name: N-[5-(2-aminoethylsulfanyl)-3-methoxy-pyrazin-2-yl]-3-chloro-6-thioxo-cyclohexa-1,3-diene-1-sulfonamide CAS Name: N-[5-(2-aminoethylthio)-3-methoxy-2-pyrazinyl]-3-chloro-6-sulfanylidene-1-cyclohexa-1,3-dienesulfonamide IUPAC Name: N-[5-(2-aminoethylsulfanyl)-3-methoxypyrazin-2-yl]-3-chloro-6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide Traditional Name: N-[5-(2-aminoethylthio)-3-methoxy-pyrazin-2-yl]-3-chloro-6-thioxo-cyclohexa-1,3-diene-1-sulfonamide Formula: C13H15ClN4O3S3 MolecularWeight: 406.9312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=CN=C1NS(=O)(=O)C2=CC(=CCC2=S)Cl)SCCN

Isomeric SMILES

COC1=NC(=CN=C1NS(=O)(=O)C2=CC(=CCC2=S)Cl)SCCN

InChI

InChI=1S/C13H15ClN4O3S3/c1-21-13-12(16-7-11(17-13)23-5-4-15)18-24(19,20)10-6-8(14)2-3-9(10)22/h2,6-7H,3-5,15H2,1H3,(H,16,18)