2-[(2-chlorophenyl)methylsulfanyl]-3-phenyl-4H-1,3,4-benzotriazepin-5-one

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-phenyl-4H-1,3,4-benzotriazepin-5-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-phenyl-4H-1,3,4-benzotriazepin-5-one CAS Name: 2-[(2-chlorophenyl)methylthio]-3-phenyl-4H-1,3,4-benzotriazepin-5-one IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-phenyl-4H-1,3,4-benzotriazepin-5-one Traditional Name: 2-[(2-chlorobenzyl)thio]-3-phenyl-4H-1,3,4-benzotriazepin-5-one Formula: C21H16ClN3OS MolecularWeight: 393.88924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C(=O)N2)SCC4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C(=O)N2)SCC4=CC=CC=C4Cl

InChI

InChI=1S/C21H16ClN3OS/c22-18-12-6-4-8-15(18)14-27-21-23-19-13-7-5-11-17(19)20(26)24-25(21)16-9-2-1-3-10-16/h1-13H,14H2,(H,24,26)