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

Systemtic Name: ethyl 2-[[5-(1-benzothiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(benzothiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(1-benzothiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(1-benzothiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(benzothiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C15H15N3O2S2 MolecularWeight: 333.4285

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C)C2=CSC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C)C2=CSC3=CC=CC=C32

InChI

InChI=1S/C15H15N3O2S2/c1-3-20-13(19)9-22-15-17-16-14(18(15)2)11-8-21-12-7-5-4-6-10(11)12/h4-8H,3,9H2,1-2H3