1,3-benzothiazol-2-ylmethyl-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-cyanoanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-cyanoanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-cyanoanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-cyanoanilino)-2-keto-ethyl]-methyl-ammonium Formula: C18H17N4OS+ MolecularWeight: 337.41878

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C18H16N4OS/c1-22(12-18-21-15-8-4-5-9-16(15)24-18)11-17(23)20-14-7-3-2-6-13(14)10-19/h2-9H,11-12H2,1H3,(H,20,23)/p+1