(2S)-2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one

Systemtic Name: (2S)-2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[4-phenyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[4-phenyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C19H19N3OS2 MolecularWeight: 369.50366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C19H19N3OS2/c23-16-10-4-5-11-17(16)25-19-21-20-18(13-15-9-6-12-24-15)22(19)14-7-2-1-3-8-14/h1-3,6-9,12,17H,4-5,10-11,13H2/t17-/m0/s1