2-[[4-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone

Systemtic Name: 2-[[4-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone Openeye Name: 2-[[4-(4-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone CAS Name: 2-[[4-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-(2-methoxyphenyl)ethanone IUPAC Name: 2-[[4-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone Traditional Name: 2-[[4-(4-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(2-methoxyphenyl)ethanone Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3OC)C4=CC=CS4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3OC)C4=CC=CS4

InChI

InChI=1S/C25H25N3O2S2/c1-3-4-8-18-12-14-19(15-13-18)28-24(23-11-7-16-31-23)26-27-25(28)32-17-21(29)20-9-5-6-10-22(20)30-2/h5-7,9-16H,3-4,8,17H2,1-2H3