4-[1-(1,5-dimethyl-2-phenyl-3-sulfanyl-pyrazol-1-ium-4-yl)ethyl]-1,5-dimethyl-2-phenyl-pyrazol-1-ium-3-thiol

Systemtic Name: 4-[1-(1,5-dimethyl-2-phenyl-3-sulfanyl-pyrazol-1-ium-4-yl)ethyl]-1,5-dimethyl-2-phenyl-pyrazol-1-ium-3-thiol Openeye Name: 4-[1-(1,5-dimethyl-2-phenyl-3-sulfanyl-pyrazol-1-ium-4-yl)ethyl]-1,5-dimethyl-2-phenyl-pyrazol-1-ium-3-thiol CAS Name: 4-[1-(3-mercapto-1,5-dimethyl-2-phenyl-4-pyrazol-1-iumyl)ethyl]-1,5-dimethyl-2-phenyl-3-pyrazol-1-iumthiol IUPAC Name: 4-[1-(1,5-dimethyl-2-phenyl-3-sulfanylpyrazol-1-ium-4-yl)ethyl]-1,5-dimethyl-2-phenylpyrazol-1-ium-3-thiol Traditional Name: 4-[1-(3-mercapto-1,5-dimethyl-2-phenyl-pyrazol-1-ium-4-yl)ethyl]-1,5-dimethyl-2-phenyl-pyrazol-1-ium-3-thiol Formula: C24H28N4S2+2 MolecularWeight: 436.63592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N(C(=C1C(C)C2=C(N([N+](=C2C)C)C3=CC=CC=C3)S)S)C4=CC=CC=C4)C

Isomeric SMILES

CC1=[N+](N(C(=C1C(C)C2=C(N([N+](=C2C)C)C3=CC=CC=C3)S)S)C4=CC=CC=C4)C

InChI

InChI=1S/C24H26N4S2/c1-16(21-17(2)25(4)27(23(21)29)19-12-8-6-9-13-19)22-18(3)26(5)28(24(22)30)20-14-10-7-11-15-20/h6-16H,1-5H3/p+2