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

Systemtic Name: 3-[(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(5-chloro-1-propyl-2-benzimidazolyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(5-chloro-1-propyl-benzimidazol-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C18H16ClN5OS MolecularWeight: 385.87054

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H16ClN5OS/c1-2-9-23-16-8-7-12(19)10-15(16)20-18(23)26-11-24-17(25)13-5-3-4-6-14(13)21-22-24/h3-8,10H,2,9,11H2,1H3