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

Systemtic Name: 5-(furan-2-yl)-4-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-prop-2-enyl-1,2,4-triazol-4-ium-3-thione Openeye Name: 4-allyl-5-(2-furyl)-4-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-1,2,4-triazol-4-ium-3-thione CAS Name: 5-(2-furanyl)-4-[2-(2-methoxyphenyl)-1-piperazinyl]-2-methyl-4-prop-2-enyl-1,2,4-triazol-4-ium-3-thione IUPAC Name: 5-(furan-2-yl)-4-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-prop-2-enyl-1,2,4-triazol-4-ium-3-thione Traditional Name: 4-allyl-5-(2-furyl)-4-[2-(2-methoxyphenyl)piperazino]-2-methyl-1,2,4-triazol-4-ium-3-thione Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)[N+](C(=N1)C2=CC=CO2)(CC=C)N3CCNCC3C4=CC=CC=C4OC

Isomeric SMILES

CN1C(=S)[N+](C(=N1)C2=CC=CO2)(CC=C)N3CCNCC3C4=CC=CC=C4OC

InChI

InChI=1S/C21H26N5O2S/c1-4-13-26(20(19-10-7-14-28-19)23-24(2)21(26)29)25-12-11-22-15-17(25)16-8-5-6-9-18(16)27-3/h4-10,14,17,22H,1,11-13,15H2,2-3H3/q+1