N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-(1,1-dioxothiolan-3-yl)triazole-4-carboxamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-(1,1-dioxothiolan-3-yl)triazole-4-carboxamide Traditional Name: 1-benzyl-N-(1,1-diketothiolan-3-yl)triazole-4-carboxamide Formula: C14H16N4O3S MolecularWeight: 320.36684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=CN(N=N2)CC3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)C2=CN(N=N2)CC3=CC=CC=C3

InChI

InChI=1S/C14H16N4O3S/c19-14(15-12-6-7-22(20,21)10-12)13-9-18(17-16-13)8-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2,(H,15,19)