1,3-benzothiazol-2-ylmethyl-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C18H16ClN4OS+ MolecularWeight: 371.86384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H15ClN4OS/c1-23(11-18-22-15-4-2-3-5-16(15)25-18)10-17(24)21-13-7-6-12(9-20)14(19)8-13/h2-8H,10-11H2,1H3,(H,21,24)/p+1