(2R)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide

Systemtic Name: (2R)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide Openeye Name: (2R)-2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide CAS Name: (2R)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenethylpropanamide IUPAC Name: (2R)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpropanamide Traditional Name: (2R)-2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-propionamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H26N4O2S/c1-4-16-27-21(19-10-12-20(29-3)13-11-19)25-26-23(27)30-17(2)22(28)24-15-14-18-8-6-5-7-9-18/h4-13,17H,1,14-16H2,2-3H3,(H,24,28)/t17-/m1/s1