2-(3-phenylpropyl)-N-[2-(2H-1,2,3-triazol-4-ylsulfanyl)ethyl]-1,3-benzoxazole-5-carboxamide

Systemtic Name: 2-(3-phenylpropyl)-N-[2-(2H-1,2,3-triazol-4-ylsulfanyl)ethyl]-1,3-benzoxazole-5-carboxamide Openeye Name: 2-(3-phenylpropyl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-1,3-benzoxazole-5-carboxamide CAS Name: 2-(3-phenylpropyl)-N-[2-(2H-triazol-4-ylthio)ethyl]-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-(3-phenylpropyl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-1,3-benzoxazole-5-carboxamide Traditional Name: 2-(3-phenylpropyl)-N-[2-(2H-triazol-4-ylthio)ethyl]-1,3-benzoxazole-5-carboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=NC3=C(O2)C=CC(=C3)C(=O)NCCSC4=NNN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=NC3=C(O2)C=CC(=C3)C(=O)NCCSC4=NNN=C4

InChI

InChI=1S/C21H21N5O2S/c27-21(22-11-12-29-20-14-23-26-25-20)16-9-10-18-17(13-16)24-19(28-18)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-10,13-14H,4,7-8,11-12H2,(H,22,27)(H,23,25,26)