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

Systemtic Name: (2S)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-cyclohexanone IUPAC Name: (2S)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C12H13N3OS2 MolecularWeight: 279.38112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C12H13N3OS2/c16-8-4-1-2-5-9(8)18-12-13-11(14-15-12)10-6-3-7-17-10/h3,6-7,9H,1-2,4-5H2,(H,13,14,15)/t9-/m0/s1