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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(4-isopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[(4-isopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C18H24N5O3S+ MolecularWeight: 390.47986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN(C1=S)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)N1C=NN(C1=S)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H23N5O3S/c1-13(2)22-10-19-23(18(22)27)11-20-5-7-21(8-6-20)17(24)14-3-4-15-16(9-14)26-12-25-15/h3-4,9-10,13H,5-8,11-12H2,1-2H3/p+1