3-[3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(1,3-benzoxazol-2-ylmethylthio)-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-(1,3-benzoxazol-2-ylmethylthio)-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C16H17N5O2S MolecularWeight: 343.40348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C16H17N5O2S/c17-13(22)7-8-21-15(10-5-6-10)19-20-16(21)24-9-14-18-11-3-1-2-4-12(11)23-14/h1-4,10H,5-9H2,(H2,17,22)