2-[5-(3-chlorophenyl)-1,2,3,4-tetrazol-2-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone

Systemtic Name: 2-[5-(3-chlorophenyl)-1,2,3,4-tetrazol-2-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-[5-(3-chlorophenyl)-2-tetrazolyl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C19H18ClN5OS MolecularWeight: 399.89712

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3N=C(N=N3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CN3N=C(N=N3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H18ClN5OS/c1-13-9-10-24(16-7-2-3-8-17(16)27-13)18(26)12-25-22-19(21-23-25)14-5-4-6-15(20)11-14/h2-8,11,13H,9-10,12H2,1H3/t13-/m0/s1