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

Systemtic Name: 3-[(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[[5-(2-pyrazinyl)-1H-1,2,4-triazol-3-yl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C16H14N6OS MolecularWeight: 338.38696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6OS/c23-15-13(6-5-10-3-1-2-4-11(10)19-15)24-16-20-14(21-22-16)12-9-17-7-8-18-12/h1-4,7-9,13H,5-6H2,(H,19,23)(H,20,21,22)