3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SC3CCCCNC3=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SC3CCCCNC3=O)N4CCOCC4

InChI

InChI=1S/C19H25N5O2S/c1-14-5-4-6-15(13-14)24-18(23-9-11-26-12-10-23)21-22-19(24)27-16-7-2-3-8-20-17(16)25/h4-6,13,16H,2-3,7-12H2,1H3,(H,20,25)