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

Systemtic Name: cyclopropyl-[4-[[4-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: cyclopropyl-[4-[[4-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: cyclopropyl-[4-[[4-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: cyclopropyl-[4-[[4-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: cyclopropyl-[4-[[4-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C18H24N5O2S+ MolecularWeight: 374.48046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NN(C2=S)C[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NN(C2=S)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C18H23N5O2S/c1-25-16-6-4-15(5-7-16)22-12-19-23(18(22)26)13-20-8-10-21(11-9-20)17(24)14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3/p+1