(2R)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide

Systemtic Name: (2R)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide Openeye Name: (2R)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide CAS Name: (2R)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylbutanamide IUPAC Name: (2R)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylbutanamide Traditional Name: (2R)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-4-18(20(26)22-16-9-7-6-8-10-16)28-21-24-23-19(25(21)5-2)15-11-13-17(27-3)14-12-15/h6-14,18H,4-5H2,1-3H3,(H,22,26)/t18-/m1/s1