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

Systemtic Name: 3-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Openeye Name: 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one IUPAC Name: 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Traditional Name: 3-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one Formula: C14H9N5O3S MolecularWeight: 327.31796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CN3C(=O)OC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CN3C(=O)OC(=N3)C4=CC=CS4

InChI

InChI=1S/C14H9N5O3S/c20-13-9-4-1-2-5-10(9)15-17-18(13)8-19-14(21)22-12(16-19)11-6-3-7-23-11/h1-7H,8H2