[azanyl-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]methylidene]azanium chloride

Systemtic Name: [azanyl-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]methylidene]azanium chloride Openeye Name: [amino-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]methylene]ammonium chloride CAS Name: [amino-[[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methylthio]methylidene]ammonium chloride IUPAC Name: [amino-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]methylidene]azanium chloride Traditional Name: [amino-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylthio]methylene]ammonium chloride 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=C(C=C3)Br)CSC(=[NH2+])N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CSC(=[NH2+])N.[Cl-]

InChI

InChI=1S/C17H15BrN4S.ClH/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);1H