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

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamodithioate Openeye Name: (3-amino-3-oxo-propyl) N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamodithioate CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)carbamodithioic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamodithioic acid (3-amino-3-keto-propyl) ester Formula: C15H18N4O2S2 MolecularWeight: 350.45902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)SCCC(=O)N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=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)