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

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(2-methoxyethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(2-methoxyethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CCOC)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CCOC)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-15-7-6-10-17(13-15)19-21-22-20(23(19)11-12-25-2)26-14-18(24)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3