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

Systemtic Name: (3S)-3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: (3S)-3-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: (3S)-3-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: (3S)-3-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)SC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C18H23N5O2S/c24-16-15(8-4-5-9-19-16)26-18-21-20-17(22-10-12-25-13-11-22)23(18)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,24)/t15-/m0/s1