[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[(3S)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-[(5S)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C18H21N3OS4 MolecularWeight: 423.63884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CS3

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)N1[C@@H](CC(=N1)C2=CC=CS2)C3=CC=CS3

InChI

InChI=1S/C18H21N3OS4/c1-3-20(4-2)18(23)26-12-17(22)21-14(16-8-6-10-25-16)11-13(19-21)15-7-5-9-24-15/h5-10,14H,3-4,11-12H2,1-2H3/t14-/m0/s1