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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[(4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C19H24N5O3S+ MolecularWeight: 402.49056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H23N5O3S/c1-13-20-23(19(28)24(13)15-3-4-15)11-21-6-8-22(9-7-21)18(25)14-2-5-16-17(10-14)27-12-26-16/h2,5,10,15H,3-4,6-9,11-12H2,1H3/p+1