5-bromanyl-1-[6-(phenylmethylsulfanyl)pyrazin-2-yl]carbonyl-2H-indazol-3-one

Systemtic Name: 5-bromanyl-1-[6-(phenylmethylsulfanyl)pyrazin-2-yl]carbonyl-2H-indazol-3-one Openeye Name: 1-(6-benzylsulfanylpyrazine-2-carbonyl)-5-bromo-2H-indazol-3-one CAS Name: 5-bromo-1-[oxo-[6-(phenylmethylthio)-2-pyrazinyl]methyl]-2H-indazol-3-one IUPAC Name: 1-(6-benzylsulfanylpyrazine-2-carbonyl)-5-bromo-2H-indazol-3-one Traditional Name: 1-[6-(benzylthio)pyrazinoyl]-5-bromo-indazolin-3-one Formula: C19H13BrN4O2S MolecularWeight: 441.30112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CN=C2)C(=O)N3C4=C(C=C(C=C4)Br)C(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CN=C2)C(=O)N3C4=C(C=C(C=C4)Br)C(=O)N3

InChI

InChI=1S/C19H13BrN4O2S/c20-13-6-7-16-14(8-13)18(25)23-24(16)19(26)15-9-21-10-17(22-15)27-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,23,25)