N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-ethyl-benzotriazole-5-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-1-ethyl-benzotriazole-5-carboxamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-(1,1-diketothiolan-3-yl)-1-ethyl-benzotriazole-5-carboxamide Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3CCS(=O)(=O)C3)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3CCS(=O)(=O)C3)N=N1

InChI

InChI=1S/C13H16N4O3S/c1-2-17-12-4-3-9(7-11(12)15-16-17)13(18)14-10-5-6-21(19,20)8-10/h3-4,7,10H,2,5-6,8H2,1H3,(H,14,18)