methyl N-cyano-N'-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamimidothioate Openeye Name: 1-cyano-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-methyl-isothiourea CAS Name: N-cyano-N'-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamimidothioate Traditional Name: 1-cyano-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-methyl-isothiourea Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5OS/c1-10-12(17-14(21-3)16-9-15)13(20)19(18(10)2)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,16,17)