[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methyl carbamimidothioate

Systemtic Name: [3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methyl carbamimidothioate Openeye Name: 2-[[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-(4-ethylphenyl)-1-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl carbamimidothioate Traditional Name: 2-[[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea Formula: C19H20N4S MolecularWeight: 336.4539

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2CSC(=N)N)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2CSC(=N)N)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4S/c1-2-14-8-10-15(11-9-14)18-16(13-24-19(20)21)12-23(22-18)17-6-4-3-5-7-17/h3-12H,2,13H2,1H3,(H3,20,21)