2-[(4-bromophenyl)methylsulfanyl]-3,4-dihydro-1,3,4-benzotriazepin-5-one

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-3,4-dihydro-1,3,4-benzotriazepin-5-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-3,4-dihydro-1,3,4-benzotriazepin-5-one CAS Name: 2-[(4-bromophenyl)methylthio]-3,4-dihydro-1,3,4-benzotriazepin-5-one IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-3,4-dihydro-1,3,4-benzotriazepin-5-one Traditional Name: 2-[(4-bromobenzyl)thio]-3,4-dihydro-1,3,4-benzotriazepin-5-one Formula: C15H12BrN3OS MolecularWeight: 362.24428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NNC(=N2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NNC(=N2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C15H12BrN3OS/c16-11-7-5-10(6-8-11)9-21-15-17-13-4-2-1-3-12(13)14(20)18-19-15/h1-8H,9H2,(H,17,19)(H,18,20)