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

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C12H13N5OS MolecularWeight: 275.32952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5OS/c13-11-15-12(17-16-11)19-9-6-5-7-3-1-2-4-8(7)14-10(9)18/h1-4,9H,5-6H2,(H,14,18)(H3,13,15,16,17)