N-tert-butyl-2-[[5-[(naphthalen-1-ylamino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[5-[(naphthalen-1-ylamino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[(1-naphthylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[5-[(1-naphthalenylamino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[5-[(naphthalen-1-ylamino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[(1-naphthylamino)methyl]-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1CC=C)CNC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1CC=C)CNC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H27N5OS/c1-5-13-27-19(25-26-21(27)29-15-20(28)24-22(2,3)4)14-23-18-12-8-10-16-9-6-7-11-17(16)18/h5-12,23H,1,13-15H2,2-4H3,(H,24,28)