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

Systemtic Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SC2CCC3=CC=CC=C3NC2=O

Isomeric SMILES

CC1=NN=C(N1C)SC2CCC3=CC=CC=C3NC2=O

InChI

InChI=1S/C14H16N4OS/c1-9-16-17-14(18(9)2)20-12-8-7-10-5-3-4-6-11(10)15-13(12)19/h3-6,12H,7-8H2,1-2H3,(H,15,19)