S-phenyl 7-chloranyl-2-methyl-1-oxidanidyl-3,4-dihydro-2H-quinoxalin-1-ium-1-carbothioate

Systemtic Name: S-phenyl 7-chloranyl-2-methyl-1-oxidanidyl-3,4-dihydro-2H-quinoxalin-1-ium-1-carbothioate Openeye Name: S-phenyl 7-chloro-2-methyl-1-oxido-3,4-dihydro-2H-quinoxalin-1-ium-1-carbothioate CAS Name: 7-chloro-2-methyl-1-oxido-3,4-dihydro-2H-quinoxalin-1-ium-1-carbothioic acid S-phenyl ester IUPAC Name: S-phenyl 7-chloro-2-methyl-1-oxido-3,4-dihydro-2H-quinoxalin-1-ium-1-carbothioate Traditional Name: 7-chloro-2-methyl-1-oxido-3,4-dihydro-2H-quinoxalin-1-ium-1-carbothioic acid S-phenyl ester Formula: C16H15ClN2O2S MolecularWeight: 334.8205

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2=C([N+]1(C(=O)SC3=CC=CC=C3)[O-])C=C(C=C2)Cl

Isomeric SMILES

CC1CNC2=C([N+]1(C(=O)SC3=CC=CC=C3)[O-])C=C(C=C2)Cl

InChI

InChI=1S/C16H15ClN2O2S/c1-11-10-18-14-8-7-12(17)9-15(14)19(11,21)16(20)22-13-5-3-2-4-6-13/h2-9,11,18H,10H2,1H3