[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] N,N-dimethylcarbamodithioate

Systemtic Name: [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] N,N-dimethylcarbamodithioate Openeye Name: [2-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [2-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(C)C(=S)SCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H23N3O3S3/c1-22(2)20(27)29-12-19(24)23-15(11-14(21-23)18-6-5-9-28-18)13-7-8-16(25-3)17(10-13)26-4/h5-10,15H,11-12H2,1-4H3