[2-oxidanylidene-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-oxidanylidene-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-oxo-2-[3-phenyl-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-oxo-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-keto-2-[5-phenyl-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl] ester Formula: C20H21N3OS3 MolecularWeight: 415.59524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3OS3/c24-19(14-27-20(25)22-10-4-5-11-22)23-17(15-7-2-1-3-8-15)13-16(21-23)18-9-6-12-26-18/h1-3,6-9,12,17H,4-5,10-11,13-14H2