methyl 2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(3-chlorobenzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-chlorobenzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C19H14ClN3O2S2 MolecularWeight: 415.91636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H14ClN3O2S2/c1-25-15(24)11-26-19-22-21-18(23(19)12-7-3-2-4-8-12)17-16(20)13-9-5-6-10-14(13)27-17/h2-10H,11H2,1H3