3-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 3-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-(1H-1,2,4-triazol-5-ylthio)-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-(1H-1,2,4-triazol-5-ylthio)-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SC3=NC=NN3

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SC3=NC=NN3

InChI

InChI=1S/C12H12N4OS/c17-11-10(18-12-13-7-14-16-12)6-5-8-3-1-2-4-9(8)15-11/h1-4,7,10H,5-6H2,(H,15,17)(H,13,14,16)