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

Systemtic Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C14H16N4OS2 MolecularWeight: 320.43304

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC=NN3

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C14H16N4OS2/c1-10-6-7-18(11-4-2-3-5-12(11)21-10)13(19)8-20-14-15-9-16-17-14/h2-5,9-10H,6-8H2,1H3,(H,15,16,17)/t10-/m0/s1