3-[(2-pentylsulfanylbenzimidazol-1-yl)methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(2-pentylsulfanylbenzimidazol-1-yl)methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(2-pentylsulfanylbenzimidazol-1-yl)methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[2-(pentylthio)-1-benzimidazolyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(2-pentylsulfanylbenzimidazol-1-yl)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[2-(amylthio)benzimidazol-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=CC=CC=C2N1CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCCCCSC1=NC2=CC=CC=C2N1CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H21N5OS/c1-2-3-8-13-27-20-21-17-11-6-7-12-18(17)24(20)14-25-19(26)15-9-4-5-10-16(15)22-23-25/h4-7,9-12H,2-3,8,13-14H2,1H3