[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] thiomorpholine-4-carbodithioate

Systemtic Name: [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] thiomorpholine-4-carbodithioate Openeye Name: [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-oxo-ethyl] thiomorpholine-4-carbodithioate CAS Name: 4-thiomorpholinecarbodithioic acid [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] thiomorpholine-4-carbodithioate Traditional Name: thiomorpholine-4-carbodithioic acid [2-(3,5-diphenyl-2-pyrazolin-1-yl)-2-keto-ethyl] ester Formula: C22H23N3OS3 MolecularWeight: 441.63252

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=S)SCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CSCCN1C(=S)SCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS3/c26-21(16-29-22(27)24-11-13-28-14-12-24)25-20(18-9-5-2-6-10-18)15-19(23-25)17-7-3-1-4-8-17/h1-10,20H,11-16H2