(2S)-1-(4-hexylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(4-hexylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(4-hexylphenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: (2S)-1-(4-hexylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-hexylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(4-hexylphenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C23H28N4OS/c1-4-5-6-7-8-18-9-11-19(12-10-18)21(28)17(2)29-23-26-25-22(27(23)3)20-13-15-24-16-14-20/h9-17H,4-8H2,1-3H3/t17-/m0/s1