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

Systemtic Name: 3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H16N4OS/c23-17-15(11-10-12-6-4-5-9-14(12)19-17)24-18-20-16(21-22-18)13-7-2-1-3-8-13/h1-9,15H,10-11H2,(H,19,23)(H,20,21,22)