4-tert-butyl-7-chloranyl-2-methylsulfanyl-3H-1,3,4-benzotriazepin-5-one

Systemtic Name: 4-tert-butyl-7-chloranyl-2-methylsulfanyl-3H-1,3,4-benzotriazepin-5-one Openeye Name: 4-tert-butyl-7-chloro-2-methylsulfanyl-3H-1,3,4-benzotriazepin-5-one CAS Name: 4-tert-butyl-7-chloro-2-(methylthio)-3H-1,3,4-benzotriazepin-5-one IUPAC Name: 4-tert-butyl-7-chloro-2-methylsulfanyl-3H-1,3,4-benzotriazepin-5-one Traditional Name: 4-tert-butyl-7-chloro-2-(methylthio)-3H-1,3,4-benzotriazepin-5-one Formula: C13H16ClN3OS MolecularWeight: 297.80364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=C(C=CC(=C2)Cl)N=C(N1)SC

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(C=CC(=C2)Cl)N=C(N1)SC

InChI

InChI=1S/C13H16ClN3OS/c1-13(2,3)17-11(18)9-7-8(14)5-6-10(9)15-12(16-17)19-4/h5-7H,1-4H3,(H,15,16)