methyl N'-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]carbamimidothioate

Systemtic Name: methyl N'-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]carbamimidothioate Openeye Name: 3-(2-isopentyl-5-methyl-pyrazol-3-yl)-2-methyl-isothiourea CAS Name: N'-[5-methyl-2-(3-methylbutyl)-3-pyrazolyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]carbamimidothioate Traditional Name: 3-(2-isoamyl-5-methyl-pyrazol-3-yl)-2-methyl-isothiourea Formula: C11H20N4S MolecularWeight: 240.3683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)N=C(N)SC)CCC(C)C

Isomeric SMILES

CC1=NN(C(=C1)/N=C(\N)/SC)CCC(C)C

InChI

InChI=1S/C11H20N4S/c1-8(2)5-6-15-10(7-9(3)14-15)13-11(12)16-4/h7-8H,5-6H2,1-4H3,(H2,12,13)