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

Systemtic Name: ethyl 2-[4-methyl-5-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-5-[2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-5-[[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-5-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[[2-keto-2-(3-methylbenzothiophen-2-yl)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SCC(=O)C2=C(C3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SCC(=O)C2=C(C3=CC=CC=C3S2)C

InChI

InChI=1S/C18H19N3O3S2/c1-4-24-16(23)9-15-19-20-18(21(15)3)25-10-13(22)17-11(2)12-7-5-6-8-14(12)26-17/h5-8H,4,9-10H2,1-3H3