(4-methylphenyl)methyl N-methyl-3-oxidanylidene-pyrazolidine-1-carboximidothioate

Systemtic Name: (4-methylphenyl)methyl N-methyl-3-oxidanylidene-pyrazolidine-1-carboximidothioate Openeye Name: p-tolylmethyl N-methyl-3-oxo-pyrazolidine-1-carboximidothioate CAS Name: N-methyl-3-oxo-1-pyrazolidinecarboximidothioic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl N-methyl-3-oxopyrazolidine-1-carboximidothioate Traditional Name: 3-keto-N-methyl-pyrazolidine-1-carboximidothioic acid (4-methylbenzyl) ester Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC(=NC)N2CCC(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)CSC(=NC)N2CCC(=O)N2

InChI

InChI=1S/C13H17N3OS/c1-10-3-5-11(6-4-10)9-18-13(14-2)16-8-7-12(17)15-16/h3-6H,7-9H2,1-2H3,(H,15,17)