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

Systemtic Name: 2-[(4S)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(4S)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-oxo-2-thioxo-imidazolidin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(4S)-4-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-5-oxo-2-sulfanylidene-1-imidazolidinyl]ethyl-dimethylammonium IUPAC Name: 2-[(4S)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(4S)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-keto-2-thioxo-imidazolidin-1-yl]ethyl-dimethyl-ammonium Formula: C18H24N5OS+ MolecularWeight: 358.48106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5OS/c1-12-15(13(2)23(20-12)14-8-6-5-7-9-14)16-17(24)22(18(25)19-16)11-10-21(3)4/h5-9,16H,10-11H2,1-4H3,(H,19,25)/p+1/t16-/m0/s1