[2-oxidanylidene-2-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-oxidanylidene-2-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-oxo-2-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-oxo-2-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethyl] ester IUPAC Name: [2-oxo-2-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-2-[(5S)-5-phenyl-3-pyrazolin-1-yl]ethyl] ester Formula: C16H21N3OS2 MolecularWeight: 335.48744

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)N1C(C=CN1)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)N1[C@@H](C=CN1)C2=CC=CC=C2

InChI

InChI=1S/C16H21N3OS2/c1-3-18(4-2)16(21)22-12-15(20)19-14(10-11-17-19)13-8-6-5-7-9-13/h5-11,14,17H,3-4,12H2,1-2H3/t14-/m0/s1