N-(4-dimethylaminophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-dimethylaminophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-dimethylaminophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H23N5O2S MolecularWeight: 397.49392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23N5O2S/c1-13(19(26)21-15-7-9-16(10-8-15)25(2)3)28-20-22-18(23-24-20)14-5-11-17(27-4)12-6-14/h5-13H,1-4H3,(H,21,26)(H,22,23,24)