3-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C22H16ClN5OS MolecularWeight: 433.91334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H16ClN5OS/c23-16-10-11-20-19(12-16)24-22(27(20)13-15-6-2-1-3-7-15)30-14-28-21(29)17-8-4-5-9-18(17)25-26-28/h1-12H,13-14H2