S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 5-bromanylpyridine-2-carbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 5-bromanylpyridine-2-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 5-bromopyridine-2-carbothioate CAS Name: 5-bromo-2-pyridinecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 5-bromopyridine-2-carbothioate Traditional Name: 5-bromopyridine-2-carbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C17H23BrN2O2S MolecularWeight: 399.34572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=NC=C(C=C1)Br

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=NC=C(C=C1)Br

InChI

InChI=1S/C17H23BrN2O2S/c1-2-3-4-5-6-7-11-19-16(21)10-12-23-17(22)15-9-8-14(18)13-20-15/h8-10,12-13H,2-7,11H2,1H3,(H,19,21)/b12-10+