methyl 6-[(4S)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]hexanoate

Systemtic Name: methyl 6-[(4S)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]hexanoate Openeye Name: methyl 6-[(4S)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-oxo-2-thioxo-imidazolidin-1-yl]hexanoate CAS Name: 6-[(4S)-4-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-5-oxo-2-sulfanylidene-1-imidazolidinyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4S)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]hexanoate Traditional Name: 6-[(4S)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-keto-2-thioxo-imidazolidin-1-yl]hexanoic acid methyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)N(C(=S)N3)CCCCCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@H]3C(=O)N(C(=S)N3)CCCCCC(=O)OC

InChI

InChI=1S/C21H26N4O3S/c1-14-18(15(2)25(23-14)16-10-6-4-7-11-16)19-20(27)24(21(29)22-19)13-9-5-8-12-17(26)28-3/h4,6-7,10-11,19H,5,8-9,12-13H2,1-3H3,(H,22,29)/t19-/m0/s1