butyl(triphenyl)boranuide; (3,3-dicyano-2-phenyl-prop-2-enyl)-bis(4-methylphenyl)sulfanium

Systemtic Name: butyl(triphenyl)boranuide; (3,3-dicyano-2-phenyl-prop-2-enyl)-bis(4-methylphenyl)sulfanium Openeye Name: butyl(triphenyl)boranuide; (3,3-dicyano-2-phenyl-allyl)-bis(p-tolyl)sulfonium CAS Name: butyl(triphenyl)boranuide; (3,3-dicyano-2-phenylprop-2-enyl)-bis(4-methylphenyl)sulfonium IUPAC Name: butyl(triphenyl)boranuide; (3,3-dicyano-2-phenylprop-2-enyl)-bis(4-methylphenyl)sulfanium Traditional Name: butyl(triphenyl)boranuide; (3,3-dicyano-2-phenyl-allyl)-bis(p-tolyl)sulfonium Formula: C47H45BN2S MolecularWeight: 680.7496

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Descriptors Computed from Structure

Canonical SMILES:

[B-](CCCC)(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)[S+](CC(=C(C#N)C#N)C2=CC=CC=C2)C3=CC=C(C=C3)C

Isomeric SMILES

[B-](CCCC)(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)[S+](CC(=C(C#N)C#N)C2=CC=CC=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H21N2S.C22H24B/c1-19-8-12-23(13-9-19)28(24-14-10-20(2)11-15-24)18-25(22(16-26)17-27)21-6-4-3-5-7-21;1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h3-15H,18H2,1-2H3;4-18H,2-3,19H2,1H3/q+1;-1