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

Systemtic Name: [3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl carbamimidothioate hydrochloride Openeye Name: 2-[[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid [3-(3-bromophenyl)-1-phenyl-4-pyrazolyl]methyl ester hydrochloride IUPAC Name: [3-(3-bromophenyl)-1-phenylpyrazol-4-yl]methyl carbamimidothioate hydrochloride Traditional Name: 2-[[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea hydrochloride Formula: C17H16BrClN4S MolecularWeight: 423.75774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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