2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-allyl-5-(3-chlorobenzothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-allyl-5-(3-chlorobenzothiophen-2-yl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C15H12ClN3O2S2 MolecularWeight: 365.85768

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C15H12ClN3O2S2/c1-2-7-19-14(17-18-15(19)22-8-11(20)21)13-12(16)9-5-3-4-6-10(9)23-13/h2-6H,1,7-8H2,(H,20,21)