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

Systemtic Name: 3-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SC3CCC4=CC=CC=C4NC3=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SC3CCC4=CC=CC=C4NC3=O)C5=CC=CC=C5

InChI

InChI=1S/C24H26N4OS/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/h1,3-4,7-11,14,19,21H,2,5-6,12-13,15-16H2,(H,25,29)