methyl N'-(phenylsulfonyl)-N-(1,3,5-trimethylpyrazol-4-yl)carbamimidothioate

Systemtic Name: methyl N'-(phenylsulfonyl)-N-(1,3,5-trimethylpyrazol-4-yl)carbamimidothioate Openeye Name: 3-(benzenesulfonyl)-2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)isothiourea CAS Name: N'-(benzenesulfonyl)-N-(1,3,5-trimethyl-4-pyrazolyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(benzenesulfonyl)-N-(1,3,5-trimethylpyrazol-4-yl)carbamimidothioate Traditional Name: 3-besyl-2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)isothiourea Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=NS(=O)(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CC1=C(C(=NN1C)C)N/C(=N/S(=O)(=O)C2=CC=CC=C2)/SC

InChI

InChI=1S/C14H18N4O2S2/c1-10-13(11(2)18(3)16-10)15-14(21-4)17-22(19,20)12-8-6-5-7-9-12/h5-9H,1-4H3,(H,15,17)