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

Systemtic Name: (2S)-1-(4-ethoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethoxyphenyl)propan-1-one CAS Name: (2S)-1-(4-ethoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-ethoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-p-phenetyl-propan-1-one Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S/c1-4-15-25-21(18-9-7-6-8-10-18)23-24-22(25)28-16(3)20(26)17-11-13-19(14-12-17)27-5-2/h4,6-14,16H,1,5,15H2,2-3H3/t16-/m0/s1