8-chloranyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine

Systemtic Name: 8-chloranyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Openeye Name: 8-chloro-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine CAS Name: 8-chloro-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine IUPAC Name: 8-chloro-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Traditional Name: 8-chloro-3-mesyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Formula: C12H10ClN3O2S MolecularWeight: 295.7447

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN=C2N1C=CC3=C(C2)C=CC(=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=NN=C2N1C=CC3=C(C2)C=CC(=C3)Cl

InChI

InChI=1S/C12H10ClN3O2S/c1-19(17,18)12-15-14-11-7-8-2-3-10(13)6-9(8)4-5-16(11)12/h2-6H,7H2,1H3