3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C16H14N6OS2 MolecularWeight: 370.45196

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4=CC=CS4

InChI

InChI=1S/C16H14N6OS2/c1-2-21-14(13-8-5-9-24-13)18-19-16(21)25-10-22-15(23)11-6-3-4-7-12(11)17-20-22/h3-9H,2,10H2,1H3