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

Systemtic Name: (3S)-3-thiophen-2-yl-5-(1H-1,2,4-triazol-5-ylimino)cyclohexan-1-one Openeye Name: (3S)-3-(2-thienyl)-5-(1H-1,2,4-triazol-5-ylimino)cyclohexanone CAS Name: (3S)-3-thiophen-2-yl-5-(1H-1,2,4-triazol-5-ylimino)-1-cyclohexanone IUPAC Name: (3S)-3-thiophen-2-yl-5-(1H-1,2,4-triazol-5-ylimino)cyclohexan-1-one Traditional Name: (3S)-3-(2-thienyl)-5-(1H-1,2,4-triazol-5-ylimino)cyclohexanone Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)CC1=NC2=NC=NN2)C3=CC=CS3

Isomeric SMILES

C1[C@@H](CC(=O)CC1=NC2=NC=NN2)C3=CC=CS3

InChI

InChI=1S/C12H12N4OS/c17-10-5-8(11-2-1-3-18-11)4-9(6-10)15-12-13-7-14-16-12/h1-3,7-8H,4-6H2,(H,13,14,16)/t8-/m0/s1