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

Systemtic Name: [3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl carbamimidothioate Openeye Name: 2-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl carbamimidothioate Traditional Name: 2-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]isothiourea Formula: C18H18N4S MolecularWeight: 322.42732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CSC(=N)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CSC(=N)N)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4S/c1-13-7-9-14(10-8-13)17-15(12-23-18(19)20)11-22(21-17)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H3,19,20)