phenyl (Z)-3-(butylamino)-3-pyridin-4-yl-prop-2-enedithioate

Systemtic Name: phenyl (Z)-3-(butylamino)-3-pyridin-4-yl-prop-2-enedithioate Openeye Name: phenyl (Z)-3-(butylamino)-3-(4-pyridyl)prop-2-enedithioate CAS Name: (Z)-3-(butylamino)-3-pyridin-4-yl-2-propenedithioic acid phenyl ester IUPAC Name: phenyl (Z)-3-(butylamino)-3-pyridin-4-ylprop-2-enedithioate Traditional Name: (Z)-3-(butylamino)-3-(4-pyridyl)prop-2-enedithioic acid phenyl ester Formula: C18H20N2S2 MolecularWeight: 328.4948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=CC(=S)SC1=CC=CC=C1)C2=CC=NC=C2

Isomeric SMILES

CCCCN/C(=C\C(=S)SC1=CC=CC=C1)/C2=CC=NC=C2

InChI

InChI=1S/C18H20N2S2/c1-2-3-11-20-17(15-9-12-19-13-10-15)14-18(21)22-16-7-5-4-6-8-16/h4-10,12-14,20H,2-3,11H2,1H3/b17-14-