2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(3-chlorobenzothiophen-2-yl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(3-chlorobenzothiophen-2-yl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]acetic acid Formula: C18H13ClN3O2S2+ MolecularWeight: 402.89772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(NN=C2SCC(=O)O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(NN=C2SCC(=O)O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H12ClN3O2S2/c19-15-12-8-4-5-9-13(12)26-16(15)17-20-21-18(25-10-14(23)24)22(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,23,24)/p+1