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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] pyridine-3-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] pyridine-3-carbothioate CAS Name: 3-pyridinecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] pyridine-3-carbothioate Traditional Name: pyridine-3-carbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O2S/c1-2-3-4-5-6-7-12-19-16(20)10-13-22-17(21)15-9-8-11-18-14-15/h8-11,13-14H,2-7,12H2,1H3,(H,19,20)/b13-10+