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

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-benzyloxyphenyl)propanamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-benzoxyphenyl)propionamide Formula: C25H25N5O3S MolecularWeight: 475.5627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NN=C(N3N)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NN=C(N3N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H25N5O3S/c1-17(34-25-29-28-23(30(25)26)19-8-12-21(32-2)13-9-19)24(31)27-20-10-14-22(15-11-20)33-16-18-6-4-3-5-7-18/h3-15,17H,16,26H2,1-2H3,(H,27,31)