1,1-bis(oxidanylidene)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thian-4-amine

Systemtic Name: 1,1-bis(oxidanylidene)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thian-4-amine Openeye Name: 1,1-dioxo-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thian-4-amine CAS Name: 1,1-dioxo-N-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]-4-thianamine IUPAC Name: 1,1-dioxo-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thian-4-amine Traditional Name: (1,1-diketothian-4-yl)-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]amine Formula: C13H16N4O2S2 MolecularWeight: 324.42174

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC2=CC=C(C=C2)SC3=NC=NN3

Isomeric SMILES

C1CS(=O)(=O)CCC1NC2=CC=C(C=C2)SC3=NC=NN3

InChI

InChI=1S/C13H16N4O2S2/c18-21(19)7-5-11(6-8-21)16-10-1-3-12(4-2-10)20-13-14-9-15-17-13/h1-4,9,11,16H,5-8H2,(H,14,15,17)