2-(benzotriazol-1-yl)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-phenyl-ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-phenyl-ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenyl-acetamide CAS Name: 2-(1-benzotriazolyl)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-phenylacetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[(3S)-1,1-diketothiolan-3-yl]-N-phenyl-acetamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(C2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N(C2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H18N4O3S/c23-18(12-21-17-9-5-4-8-16(17)19-20-21)22(14-6-2-1-3-7-14)15-10-11-26(24,25)13-15/h1-9,15H,10-13H2/t15-/m0/s1