N-(3-methylbutyl)-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide

Systemtic Name: N-(3-methylbutyl)-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide Openeye Name: N-isopentyl-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-(3-methylbutyl)-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]butanamide IUPAC Name: N-(3-methylbutyl)-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: N-isoamyl-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C21H26N4OS2 MolecularWeight: 414.58734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC(C)CCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C21H26N4OS2/c1-16(2)12-13-22-19(26)11-7-15-28-21-24-23-20(18-10-6-14-27-18)25(21)17-8-4-3-5-9-17/h3-6,8-10,14,16H,7,11-13,15H2,1-2H3,(H,22,26)