S-[[1-(3-aminophenyl)-1,2,3,4-tetrazol-5-yl]] N,N-diethylcarbamothioate

Systemtic Name: S-[[1-(3-aminophenyl)-1,2,3,4-tetrazol-5-yl]] N,N-diethylcarbamothioate Openeye Name: S-[1-(3-aminophenyl)tetrazol-5-yl] N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid S-[[1-(3-aminophenyl)-5-tetrazolyl]] ester IUPAC Name: S-[1-(3-aminophenyl)tetrazol-5-yl] N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid S-[1-(3-aminophenyl)tetrazol-5-yl] ester Formula: C12H16N6OS MolecularWeight: 292.36004

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SC1=NN=NN1C2=CC(=CC=C2)N

Isomeric SMILES

CCN(CC)C(=O)SC1=NN=NN1C2=CC(=CC=C2)N

InChI

InChI=1S/C12H16N6OS/c1-3-17(4-2)12(19)20-11-14-15-16-18(11)10-7-5-6-9(13)8-10/h5-8H,3-4,13H2,1-2H3