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

Systemtic Name: [2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] piperidine-1-carbodithioate Openeye Name: [2-[3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] piperidine-1-carbodithioate CAS Name: 1-piperidinecarbodithioic acid [2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] piperidine-1-carbodithioate Traditional Name: piperidine-1-carbodithioic acid [2-keto-2-[5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl] ester Formula: C22H25N3O2S3 MolecularWeight: 459.6478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC(=S)N3CCCCC3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC(=S)N3CCCCC3)C4=CC=CS4

InChI

InChI=1S/C22H25N3O2S3/c1-27-17-9-7-16(8-10-17)19-14-18(20-6-5-13-29-20)23-25(19)21(26)15-30-22(28)24-11-3-2-4-12-24/h5-10,13,19H,2-4,11-12,14-15H2,1H3