(4R,5S)-3-oxidanyl-5-thiophen-2-yl-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one

Systemtic Name: (4R,5S)-3-oxidanyl-5-thiophen-2-yl-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Openeye Name: (4R,5S)-3-hydroxy-5-(2-thienyl)-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one CAS Name: (4R,5S)-3-hydroxy-5-thiophen-2-yl-4-(1,2,4-triazol-1-yl)-1-cyclohex-2-enone IUPAC Name: (4R,5S)-3-hydroxy-5-thiophen-2-yl-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Traditional Name: (4R,5S)-3-hydroxy-5-(2-thienyl)-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Formula: C12H11N3O2S MolecularWeight: 261.29964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=CC1=O)O)N2C=NC=N2)C3=CC=CS3

Isomeric SMILES

C1[C@@H]([C@H](C(=CC1=O)O)N2C=NC=N2)C3=CC=CS3

InChI

InChI=1S/C12H11N3O2S/c16-8-4-9(11-2-1-3-18-11)12(10(17)5-8)15-7-13-6-14-15/h1-3,5-7,9,12,17H,4H2/t9-,12-/m1/s1