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

Systemtic Name: 2-phenethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]-1,3-benzoxazole-5-carboxamide Openeye Name: 2-phenethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]-1,3-benzoxazole-5-carboxamide CAS Name: 2-phenethyl-N-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-phenethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]-1,3-benzoxazole-5-carboxamide Traditional Name: 2-phenethyl-N-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]-1,3-benzoxazole-5-carboxamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC3=C(O2)C=CC(=C3)C(=O)NCCSC4=NC=NN4

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC3=C(O2)C=CC(=C3)C(=O)NCCSC4=NC=NN4

InChI

InChI=1S/C20H19N5O2S/c26-19(21-10-11-28-20-22-13-23-25-20)15-7-8-17-16(12-15)24-18(27-17)9-6-14-4-2-1-3-5-14/h1-5,7-8,12-13H,6,9-11H2,(H,21,26)(H,22,23,25)