3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(N2C3=CC=CC=C3)SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC2=C(C1)N=C(N2C3=CC=CC=C3)SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H19N5OS/c27-20-16-10-4-5-11-17(16)23-24-25(20)14-28-21-22-18-12-6-7-13-19(18)26(21)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2