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

Systemtic Name: 3-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C17H15N5OS MolecularWeight: 337.3989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5OS/c23-16-14(8-7-11-4-1-2-6-13(11)19-16)24-17-20-15(21-22-17)12-5-3-9-18-10-12/h1-6,9-10,14H,7-8H2,(H,19,23)(H,20,21,22)