3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C14H9N5O2S MolecularWeight: 311.31856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C14H9N5O2S/c20-14-10-3-1-2-4-11(10)16-18-19(14)7-12-15-13(17-21-12)9-5-6-22-8-9/h1-6,8H,7H2