[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-bis(phenylmethyl)azanium

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]ammonium CAS Name: [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: dibenzyl-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]ammonium Formula: C21H20N3OS+ MolecularWeight: 362.468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C21H19N3OS/c22-13-19-11-12-26-21(19)23-20(25)16-24(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-12H,14-16H2,(H,23,25)/p+1