sodium [2-[6-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]-4,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-2-methyl-propyl] sulfate

Systemtic Name: sodium [2-[6-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]-4,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-2-methyl-propyl] sulfate Openeye Name: sodium [2-[6-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)azo]-4,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-2-methyl-propyl] sulfate CAS Name: sodium [2-[6-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]azo]-4,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropyl] sulfate IUPAC Name: sodium [2-[6-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]-4,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropyl] sulfate Traditional Name: sodium [2-[6-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]azo]-4,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-2-methyl-propyl] sulfate Formula: C19H26N5NaO4S3 MolecularWeight: 507.62561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)N=NC2=C(C=C3C(=C2)C(CCN3C(C)(C)COS(=O)(=O)[O-])C)C.[Na+]

Isomeric SMILES

CCSC1=NN=C(S1)N=NC2=C(C=C3C(=C2)C(CCN3C(C)(C)COS(=O)(=O)[O-])C)C.[Na+]

InChI

InChI=1S/C19H27N5O4S3.Na/c1-6-29-18-23-22-17(30-18)21-20-15-10-14-12(2)7-8-24(16(14)9-13(15)3)19(4,5)11-28-31(25,26)27;/h9-10,12H,6-8,11H2,1-5H3,(H,25,26,27);/q;+1/p-1