1-[3-(dioxidanylmethyl)-5-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]-3-ethyl-thiourea

Systemtic Name: 1-[3-(dioxidanylmethyl)-5-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]-3-ethyl-thiourea Openeye Name: 1-ethyl-3-[3-(hydroperoxymethyl)-5-(5-thioxo-2H-tetrazol-1-yl)phenyl]thiourea CAS Name: 1-ethyl-3-[3-(hydroperoxymethyl)-5-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]thiourea IUPAC Name: 1-ethyl-3-[3-(hydroperoxymethyl)-5-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]thiourea Traditional Name: 1-ethyl-3-[3-(hydroperoxymethyl)-5-(5-thioxo-2H-tetrazol-1-yl)phenyl]thiourea Formula: C11H14N6O2S2 MolecularWeight: 326.39786

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=CC(=CC(=C1)N2C(=S)N=NN2)COO

Isomeric SMILES

CCNC(=S)NC1=CC(=CC(=C1)N2C(=S)N=NN2)COO

InChI

InChI=1S/C11H14N6O2S2/c1-2-12-10(20)13-8-3-7(6-19-18)4-9(5-8)17-11(21)14-15-16-17/h3-5,18H,2,6H2,1H3,(H2,12,13,20)(H,14,16,21)