1,3-benzodioxol-5-yl-[4-[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(3,4-dimethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[(3,4-dimethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C17H22N5O3S+ MolecularWeight: 376.45328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NN(C(=S)N1C)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H21N5O3S/c1-12-18-22(17(26)19(12)2)10-20-5-7-21(8-6-20)16(23)13-3-4-14-15(9-13)25-11-24-14/h3-4,9H,5-8,10-11H2,1-2H3/p+1