3-[(1-butyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(1-butyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[1-butyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[1-butyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(1-butyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(1-butyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C24H28N6O3S2 MolecularWeight: 512.64752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H28N6O3S2/c1-2-3-15-29-22-12-11-18(35(32,33)28-13-7-4-8-14-28)16-21(22)25-24(29)34-17-30-23(31)19-9-5-6-10-20(19)26-27-30/h5-6,9-12,16H,2-4,7-8,13-15,17H2,1H3