3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazine-4-thione

Systemtic Name: 3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazine-4-thione Openeye Name: 3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazine-4-thione CAS Name: 3-[[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]methyl]-1,2,3-benzotriazine-4-thione IUPAC Name: 3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazine-4-thione Traditional Name: 3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]methyl]-1,2,3-benzotriazine-4-thione Formula: C20H23N5O4S2 MolecularWeight: 461.55772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)CN3C(=S)C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)CN3C(=S)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H23N5O4S2/c1-28-15-7-8-18(29-2)19(13-15)31(26,27)24-11-9-23(10-12-24)14-25-20(30)16-5-3-4-6-17(16)21-22-25/h3-8,13H,9-12,14H2,1-2H3