3-[[1-(phenylmethyl)imidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[1-(phenylmethyl)imidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1-benzylimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[1-(phenylmethyl)-2-imidazolyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(1-benzylimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(1-benzylimidazol-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN=C2SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN=C2SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H15N5OS/c24-17-15-8-4-5-9-16(15)20-21-23(17)13-25-18-19-10-11-22(18)12-14-6-2-1-3-7-14/h1-11H,12-13H2