(2S)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one

Systemtic Name: (2S)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-cyclohexanone IUPAC Name: (2S)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C16H18N4OS MolecularWeight: 314.40532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2CCCCC2=O)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1S[C@H]2CCCCC2=O)C3=CC=NC=C3

InChI

InChI=1S/C16H18N4OS/c1-2-11-20-15(12-7-9-17-10-8-12)18-19-16(20)22-14-6-4-3-5-13(14)21/h2,7-10,14H,1,3-6,11H2/t14-/m0/s1