2-(benzotriazol-1-yl)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[(4S)-thiochroman-4-yl]acetamide CAS Name: 2-(1-benzotriazolyl)-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[(4S)-thiochroman-4-yl]acetamide Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H16N4OS/c22-17(11-21-15-7-3-2-6-14(15)19-20-21)18-13-9-10-23-16-8-4-1-5-12(13)16/h1-8,13H,9-11H2,(H,18,22)/t13-/m0/s1