2-[(7-chloranyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)sulfanylmethyl]-1,3,4-thiadiazole

Systemtic Name: 2-[(7-chloranyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)sulfanylmethyl]-1,3,4-thiadiazole Openeye Name: 2-[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)sulfanylmethyl]-1,3,4-thiadiazole CAS Name: 2-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)thio]methyl]-1,3,4-thiadiazole IUPAC Name: 2-[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)sulfanylmethyl]-1,3,4-thiadiazole Traditional Name: 2-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)thio]methyl]-1,3,4-thiadiazole Formula: C13H14ClN3S2 MolecularWeight: 311.85336

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C=CC(=C2SCC3=NN=CS3)Cl

Isomeric SMILES

C1CNCCC2=C1C=CC(=C2SCC3=NN=CS3)Cl

InChI

InChI=1S/C13H14ClN3S2/c14-11-2-1-9-3-5-15-6-4-10(9)13(11)18-7-12-17-16-8-19-12/h1-2,8,15H,3-7H2