3-[2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]propanamide CAS Name: 3-[[2-[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]acetyl]amino]propionamide Formula: C19H21N5O3S MolecularWeight: 399.46674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CSC2=NN=CN2CC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CSC2=NN=CN2CC3=CC=CO3

InChI

InChI=1S/C19H21N5O3S/c20-17(25)8-9-23(11-15-5-2-1-3-6-15)18(26)13-28-19-22-21-14-24(19)12-16-7-4-10-27-16/h1-7,10,14H,8-9,11-13H2,(H2,20,25)