1-(azepan-1-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[3-(m-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[3-(m-tolyl)-1,2,4-thiadiazol-5-yl]thio]ethanone Formula: C17H21N3OS2 MolecularWeight: 347.49814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NSC(=N2)SCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NSC(=N2)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C17H21N3OS2/c1-13-7-6-8-14(11-13)16-18-17(23-19-16)22-12-15(21)20-9-4-2-3-5-10-20/h6-8,11H,2-5,9-10,12H2,1H3