S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 4-chloranylpyridine-3-carbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 4-chloranylpyridine-3-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 4-chloropyridine-3-carbothioate CAS Name: 4-chloro-3-pyridinecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 4-chloropyridine-3-carbothioate Traditional Name: 4-chloropyridine-3-carbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C17H23ClN2O2S MolecularWeight: 354.89472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=C(C=CN=C1)Cl

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=C(C=CN=C1)Cl

InChI

InChI=1S/C17H23ClN2O2S/c1-2-3-4-5-6-7-10-20-16(21)9-12-23-17(22)14-13-19-11-8-15(14)18/h8-9,11-13H,2-7,10H2,1H3,(H,20,21)/b12-9+