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

Systemtic Name: 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C16H14N4OS2 MolecularWeight: 342.43856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C16H14N4OS2/c21-15-13(8-7-10-4-1-2-5-11(10)17-15)23-16-18-14(19-20-16)12-6-3-9-22-12/h1-6,9,13H,7-8H2,(H,17,21)(H,18,19,20)