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

Systemtic Name: 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C14H10N6OS2 MolecularWeight: 342.3988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C14H10N6OS2/c21-13-9-4-1-2-5-10(9)16-19-20(13)8-23-14-15-12(17-18-14)11-6-3-7-22-11/h1-7H,8H2,(H,15,17,18)