1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanone

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[5-(3-thienyl)tetrazol-2-yl]ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[5-(3-thiophenyl)-2-tetrazolyl]ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(5-thiophen-3-yltetrazol-2-yl)ethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[5-(3-thienyl)tetrazol-2-yl]ethanone Formula: C17H17N5OS2 MolecularWeight: 371.47978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5OS2/c1-12-6-8-21(14-4-2-3-5-15(14)25-12)16(23)10-22-19-17(18-20-22)13-7-9-24-11-13/h2-5,7,9,11-12H,6,8,10H2,1H3