3-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 3-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C24H20N4OS MolecularWeight: 412.5068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H20N4OS/c29-23-21(16-15-17-9-7-8-14-20(17)25-23)30-24-27-26-22(18-10-3-1-4-11-18)28(24)19-12-5-2-6-13-19/h1-14,21H,15-16H2,(H,25,29)