2-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H19N3O2S2/c1-15-10-11-19(27-2)17(13-15)25-21(20-9-6-12-28-20)23-24-22(25)29-14-18(26)16-7-4-3-5-8-16/h3-13H,14H2,1-2H3