3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H21N7OS MolecularWeight: 419.50274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H21N7OS/c29-19-17-11-5-6-12-18(17)22-25-27(19)15-30-21-24-23-20(26-13-7-2-8-14-26)28(21)16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2