4-(benzotriazol-1-ylmethyl)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methylbenzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[(3S)-1,1-diketothiolan-3-yl]-N-methyl-benzamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H20N4O3S/c1-22(16-10-11-27(25,26)13-16)19(24)15-8-6-14(7-9-15)12-23-18-5-3-2-4-17(18)20-21-23/h2-9,16H,10-13H2,1H3/t16-/m0/s1