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

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-cyclohexanone IUPAC Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C15H17N3OS2 MolecularWeight: 319.44498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C15H17N3OS2/c19-11-4-1-2-5-12(11)21-15-17-16-14(13-6-3-9-20-13)18(15)10-7-8-10/h3,6,9-10,12H,1-2,4-5,7-8H2/t12-/m0/s1