2-methylsulfonylethylcarbamic acid; 2-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-methylsulfonylethylcarbamic acid; 2-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-methylsulfonylethylcarbamic acid; 2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-1,4-benzoquinone CAS Name: 2-methylsulfonylethylcarbamic acid; 2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-methylsulfonylethylcarbamic acid; 2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-mesylethylcarbamic acid; 2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-p-benzoquinone Formula: C21H28N6O10S3 MolecularWeight: 620.67622

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNC(=O)O.CS(=O)(=O)CCNC(=O)O.C1=CC=C(C=C1)N2C(=NNN2)SC3=CC(=O)C=CC3=O

Isomeric SMILES

CS(=O)(=O)CCNC(=O)O.CS(=O)(=O)CCNC(=O)O.C1=CC=C(C=C1)N2C(=NNN2)SC3=CC(=O)C=CC3=O

InChI

InChI=1S/C13H10N4O2S.2C4H9NO4S/c18-10-6-7-11(19)12(8-10)20-13-14-15-16-17(13)9-4-2-1-3-5-9;2*1-10(8,9)3-2-5-4(6)7/h1-8,15-16H;2*5H,2-3H2,1H3,(H,6,7)