methyl N'-(2-phenyl-3,4-dihydropyrazol-5-yl)carbamimidothioate

Systemtic Name: methyl N'-(2-phenyl-3,4-dihydropyrazol-5-yl)carbamimidothioate Openeye Name: 2-methyl-3-(2-phenyl-3,4-dihydropyrazol-5-yl)isothiourea CAS Name: N'-(2-phenyl-3,4-dihydropyrazol-5-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2-phenyl-3,4-dihydropyrazol-5-yl)carbamimidothioate Traditional Name: 2-methyl-3-(1-phenyl-2-pyrazolin-3-yl)isothiourea Formula: C11H14N4S MolecularWeight: 234.32066

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=NN(CC1)C2=CC=CC=C2)N

Isomeric SMILES

CSC(=NC1=NN(CC1)C2=CC=CC=C2)N

InChI

InChI=1S/C11H14N4S/c1-16-11(12)13-10-7-8-15(14-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,12,13,14)