5-(2-methylfuran-3-yl)-2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-methylfuran-3-yl)-2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(2-methyl-3-furyl)-2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-methyl-3-furanyl)-2-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-(2-methylfuran-3-yl)-2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(2-methyl-3-furyl)-2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=C(OC=C4)C)CC=C

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=C(OC=C4)C)CC=C

InChI

InChI=1S/C22H27N5OS/c1-4-9-26-21(20-8-14-28-18(20)3)23-27(22(26)29)16-24-10-12-25(13-11-24)19-7-5-6-17(2)15-19/h4-8,14-15H,1,9-13,16H2,2-3H3/p+1