(2S)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one

Systemtic Name: (2S)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Openeye Name: (2S)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]cyclopentanone CAS Name: (2S)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-cyclopentanone IUPAC Name: (2S)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Traditional Name: (2S)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]cyclopentanone Formula: C19H18N4O2S MolecularWeight: 366.43682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SC3CCCC3=O)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2S[C@H]3CCCC3=O)C4=CC=NC=C4

InChI

InChI=1S/C19H18N4O2S/c1-25-15-7-5-14(6-8-15)23-18(13-9-11-20-12-10-13)21-22-19(23)26-17-4-2-3-16(17)24/h5-12,17H,2-4H2,1H3/t17-/m0/s1