(2R)-1-(4-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2R)-1-(4-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one CAS Name: (2R)-1-(4-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(4-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)propan-1-one Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)OC)SC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C20H20N4O2S/c1-4-13-24-19(16-9-11-21-12-10-16)22-23-20(24)27-14(2)18(25)15-5-7-17(26-3)8-6-15/h4-12,14H,1,13H2,2-3H3/t14-/m1/s1