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

Systemtic Name: 4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dipropyl-butanamide Openeye Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dipropyl-butanamide CAS Name: 4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N,N-dipropylbutanamide IUPAC Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dipropylbutanamide Traditional Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N,N-dipropyl-butyramide Formula: C25H32N4OS MolecularWeight: 436.61278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCN(CCC)C(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H32N4OS/c1-3-17-28(18-4-2)24(30)16-11-19-31-25-27-26-23(20-21-12-7-5-8-13-21)29(25)22-14-9-6-10-15-22/h5-10,12-15H,3-4,11,16-20H2,1-2H3