(2S)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide

Systemtic Name: (2S)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide Openeye Name: (2S)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide CAS Name: (2S)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenethylpropanamide IUPAC Name: (2S)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpropanamide Traditional Name: (2S)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=CC=C3OC

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=CC=C3OC

InChI

InChI=1S/C21H24N4O2S/c1-15(20(26)22-14-13-16-9-5-4-6-10-16)28-21-24-23-19(25(21)2)17-11-7-8-12-18(17)27-3/h4-12,15H,13-14H2,1-3H3,(H,22,26)/t15-/m0/s1