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

Systemtic Name: (2R)-1-(4-methoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one CAS Name: (2R)-1-(4-methoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(4-methoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)propan-1-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-4-14-24-20(17-8-6-5-7-9-17)22-23-21(24)27-15(2)19(25)16-10-12-18(26-3)13-11-16/h4-13,15H,1,14H2,2-3H3/t15-/m1/s1