4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-3-thiophen-2-yl-1H-1,2,4-triazol-4-ium-5-thione

Systemtic Name: 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-3-thiophen-2-yl-1H-1,2,4-triazol-4-ium-5-thione Openeye Name: 4-allyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-(2-thienyl)-1H-1,2,4-triazol-4-ium-5-thione CAS Name: 4-[[2-(2-methoxyphenyl)-1-piperazinyl]methyl]-4-prop-2-enyl-3-thiophen-2-yl-1H-1,2,4-triazol-4-ium-5-thione IUPAC Name: 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-3-thiophen-2-yl-1H-1,2,4-triazol-4-ium-5-thione Traditional Name: 4-allyl-4-[[2-(2-methoxyphenyl)piperazino]methyl]-3-(2-thienyl)-1H-1,2,4-triazol-4-ium-5-thione Formula: C21H26N5OS2+ MolecularWeight: 428.59404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CNCCN2C[N+]3(C(=NNC3=S)C4=CC=CS4)CC=C

Isomeric SMILES

COC1=CC=CC=C1C2CNCCN2C[N+]3(C(=NNC3=S)C4=CC=CS4)CC=C

InChI

InChI=1S/C21H25N5OS2/c1-3-12-26(20(23-24-21(26)28)19-9-6-13-29-19)15-25-11-10-22-14-17(25)16-7-4-5-8-18(16)27-2/h3-9,13,17,22H,1,10-12,14-15H2,2H3/p+1