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

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-(1-methyltetrazol-5-yl)sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(1-methyl-5-tetrazolyl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-(1-methyltetrazol-5-yl)sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(1-methyltetrazol-5-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:

CN1C(=NN=N1)SC2CCC3=CC=CC=C3NC2=O

Isomeric SMILES

CN1C(=NN=N1)SC2CCC3=CC=CC=C3NC2=O

InChI

InChI=1S/C12H13N5OS/c1-17-12(14-15-16-17)19-10-7-6-8-4-2-3-5-9(8)13-11(10)18/h2-5,10H,6-7H2,1H3,(H,13,18)