[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-bis(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-bis(thiophen-2-ylmethyl)azanium Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]-bis(2-thienylmethyl)ammonium CAS Name: [2-[2-(cyanomethylthio)anilino]-2-oxoethyl]-bis(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium Traditional Name: [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]-bis(2-thenyl)ammonium Formula: C20H20N3OS3+ MolecularWeight: 414.5873

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C[NH+](CC2=CC=CS2)CC3=CC=CS3)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C[NH+](CC2=CC=CS2)CC3=CC=CS3)SCC#N

InChI

InChI=1S/C20H19N3OS3/c21-9-12-27-19-8-2-1-7-18(19)22-20(24)15-23(13-16-5-3-10-25-16)14-17-6-4-11-26-17/h1-8,10-11H,12-15H2,(H,22,24)/p+1