4-thiophen-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-thiophen-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(2-thienyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-thiophen-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-thiophen-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(2-thienyl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]butyramide Formula: C18H20N4OS MolecularWeight: 340.4426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1=CSC(=C1)CCCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C18H20N4OS/c23-18(5-1-3-17-4-2-10-24-17)20-11-15-6-8-16(9-7-15)12-22-14-19-13-21-22/h2,4,6-10,13-14H,1,3,5,11-12H2,(H,20,23)