3-[1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-1-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C19H29N6O2S+ MolecularWeight: 405.53756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)N(C(=N3)CCC(=O)N)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)N(C(=N3)CCC(=O)N)C

InChI

InChI=1S/C19H28N6O2S/c1-3-27-16-7-5-4-6-15(16)24-12-10-23(11-13-24)14-25-19(28)22(2)18(21-25)9-8-17(20)26/h4-7H,3,8-14H2,1-2H3,(H2,20,26)/p+1