1-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methanimidothioate

Systemtic Name: 1-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methanimidothioate Openeye Name: 1-(3-amino-3-oxo-propyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methanimidothioate CAS Name: 1-[(3-amino-3-oxopropyl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methanimidothioate IUPAC Name: 1-(3-amino-3-oxopropyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanimidothioate Traditional Name: 1-[(3-amino-3-keto-propyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thioformimidate Formula: C15H17N4O2S2- MolecularWeight: 349.45108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C([S-])SCCC(=O)N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C([S-])SCCC(=O)N

InChI

InChI=1S/C15H18N4O2S2/c1-10-13(17-15(22)23-9-8-12(16)20)14(21)19(18(10)2)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H2,16,20)(H,17,22)/p-1