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

Systemtic Name: ethyl N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamodithioate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C14H17N3OS2 MolecularWeight: 307.43428

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCSC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C14H17N3OS2/c1-4-20-14(19)15-12-10(2)16(3)17(13(12)18)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,15,19)