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

Systemtic Name: 3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C15H12N6OS2 MolecularWeight: 356.42538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NNC(=N3)CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NNC(=N3)CC4=CC=CS4

InChI

InChI=1S/C15H12N6OS2/c22-14-11-5-1-2-6-12(11)17-20-21(14)9-24-15-16-13(18-19-15)8-10-4-3-7-23-10/h1-7H,8-9H2,(H,16,18,19)