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

Systemtic Name: 3-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4,5-bis(2-thienyl)-1H-imidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4,5-bis(2-thienyl)-1H-imidazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C19H13N5OS3 MolecularWeight: 423.53442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC(=C(N3)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC(=C(N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C19H13N5OS3/c25-18-12-5-1-2-6-13(12)22-23-24(18)11-28-19-20-16(14-7-3-9-26-14)17(21-19)15-8-4-10-27-15/h1-10H,11H2,(H,20,21)