4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-N,N-diethyl-aniline; 4-methylbenzenesulfonic acid

Systemtic Name: 4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-N,N-diethyl-aniline; 4-methylbenzenesulfonic acid Openeye Name: 4-[(E)-2-(1H-benzimidazol-2-yl)vinyl]-N,N-diethyl-aniline; 4-methylbenzenesulfonic acid CAS Name: 4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-N,N-diethylaniline; 4-methylbenzenesulfonic acid IUPAC Name: 4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-N,N-diethylaniline; 4-methylbenzenesulfonic acid Traditional Name: [4-[(E)-2-(1H-benzimidazol-2-yl)vinyl]phenyl]-diethyl-amine; tosylic acid Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3N2.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N2.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C19H21N3.C7H8O3S/c1-3-22(4-2)16-12-9-15(10-13-16)11-14-19-20-17-7-5-6-8-18(17)21-19;1-6-2-4-7(5-3-6)11(8,9)10/h5-14H,3-4H2,1-2H3,(H,20,21);2-5H,1H3,(H,8,9,10)/b14-11+;