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

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(2,3-dimethylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(2,3-dimethylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3OS2/c1-15-8-6-11-18(16(15)2)25-21(20-12-7-13-27-20)23-24-22(25)28-14-19(26)17-9-4-3-5-10-17/h3-13H,14H2,1-2H3