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

Systemtic Name: [3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl carbamimidothioate Openeye Name: 2-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl carbamimidothioate Traditional Name: 2-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea Formula: C17H15BrN4S MolecularWeight: 387.2968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CSC(=N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CSC(=N)N

InChI

InChI=1S/C17H15BrN4S/c18-14-8-6-12(7-9-14)16-13(11-23-17(19)20)10-22(21-16)15-4-2-1-3-5-15/h1-10H,11H2,(H3,19,20)