3-[(4S)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(4S)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(4S)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-oxo-2-thioxo-imidazolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(4S)-4-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-5-oxo-2-sulfanylidene-1-imidazolidinyl]propyl-dimethylammonium IUPAC Name: 3-[(4S)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[(4S)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-keto-2-thioxo-imidazolidin-1-yl]propyl-dimethyl-ammonium Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)N(C(=S)N3)CCC[NH+](C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@H]3C(=O)N(C(=S)N3)CCC[NH+](C)C

InChI

InChI=1S/C19H25N5OS/c1-13-16(14(2)24(21-13)15-9-6-5-7-10-15)17-18(25)23(19(26)20-17)12-8-11-22(3)4/h5-7,9-10,17H,8,11-12H2,1-4H3,(H,20,26)/p+1/t17-/m0/s1