4-[bis(azanyl)methylidene]-5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-pyrazol-1-ium-3-one

Systemtic Name: 4-[bis(azanyl)methylidene]-5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-pyrazol-1-ium-3-one Openeye Name: 5-[(4-chlorophenyl)sulfanylmethyl]-4-(diaminomethylene)-2-phenyl-pyrazol-1-ium-3-one CAS Name: 5-[[(4-chlorophenyl)thio]methyl]-4-(diaminomethylidene)-2-phenyl-3-pyrazol-1-iumone IUPAC Name: 5-[(4-chlorophenyl)sulfanylmethyl]-4-(diaminomethylidene)-2-phenylpyrazol-1-ium-3-one Traditional Name: 5-[[(4-chlorophenyl)thio]methyl]-4-(diaminomethylene)-2-phenyl-2-pyrazolin-1-ium-3-one Formula: C17H16ClN4OS+ MolecularWeight: 359.85314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=C(N)N)C(=[NH+]2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=C(N)N)C(=[NH+]2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN4OS/c18-11-6-8-13(9-7-11)24-10-14-15(16(19)20)17(23)22(21-14)12-4-2-1-3-5-12/h1-9H,10,19-20H2/p+1