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

Systemtic Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC2CCC3=CC=CC=C3NC2=O

Isomeric SMILES

CC1=NC(=NN1)SC2CCC3=CC=CC=C3NC2=O

InChI

InChI=1S/C13H14N4OS/c1-8-14-13(17-16-8)19-11-7-6-9-4-2-3-5-10(9)15-12(11)18/h2-5,11H,6-7H2,1H3,(H,15,18)(H,14,16,17)