3-(4,5-dimethyl-1-phenyl-imidazol-2-yl)sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 3-(4,5-dimethyl-1-phenyl-imidazol-2-yl)sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-(4,5-dimethyl-1-phenyl-imidazol-2-yl)sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(4,5-dimethyl-1-phenyl-2-imidazolyl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-(4,5-dimethyl-1-phenylimidazol-2-yl)sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(4,5-dimethyl-1-phenyl-imidazol-2-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SC2CCC3=CC=CC=C3NC2=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=N1)SC2CCC3=CC=CC=C3NC2=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H21N3OS/c1-14-15(2)24(17-9-4-3-5-10-17)21(22-14)26-19-13-12-16-8-6-7-11-18(16)23-20(19)25/h3-11,19H,12-13H2,1-2H3,(H,23,25)