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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)ethanone Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S2/c1-27-18-11-9-17(10-12-18)25-21(14-16-6-3-2-4-7-16)23-24-22(25)29-15-19(26)20-8-5-13-28-20/h2-13H,14-15H2,1H3