1,3-diethyl-5-(3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one

Systemtic Name: 1,3-diethyl-5-(3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1,3-diethyl-1-(4-methylsulfonylphenyl)-5-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1,3-diethyl-5-(3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1,3-diethyl-5-(3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1,3-diethyl-1-(4-mesylphenyl)-5-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C28H29N4O3S+ MolecularWeight: 501.61986

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2C3=CNN=C3)C4=CC(=CC=C4)C)[N+](C1=O)(CC)C5=CC=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2C3=CNN=C3)C4=CC(=CC=C4)C)[N+](C1=O)(CC)C5=CC=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C28H29N4O3S/c1-5-31-27-25(32(6-2,28(31)33)22-10-12-23(13-11-22)36(4,34)35)15-14-24(20-9-7-8-19(3)16-20)26(27)21-17-29-30-18-21/h7-18H,5-6H2,1-4H3,(H,29,30)/q+1