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

Systemtic Name: [1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methyl carbamimidothioate Openeye Name: 2-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [1-phenyl-3-(4-phenylphenyl)-4-pyrazolyl]methyl ester IUPAC Name: [1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methyl carbamimidothioate Traditional Name: 2-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methyl]isothiourea Formula: C23H20N4S MolecularWeight: 384.4967

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3CSC(=N)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3CSC(=N)N)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4S/c24-23(25)28-16-20-15-27(21-9-5-2-6-10-21)26-22(20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-15H,16H2,(H3,24,25)