4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)butanamide

Systemtic Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)butanamide Openeye Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-furylmethyl)butanamide CAS Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(2-furanylmethyl)butanamide IUPAC Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)butanamide Traditional Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(2-furfuryl)butyramide Formula: C23H22N4O2S MolecularWeight: 418.51138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H22N4O2S/c28-21(24-17-20-13-7-15-29-20)14-8-16-30-23-26-25-22(18-9-3-1-4-10-18)27(23)19-11-5-2-6-12-19/h1-7,9-13,15H,8,14,16-17H2,(H,24,28)