2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-ethyl-1-piperazin-4-iumyl)methyl]-5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-o-cumenyl-1,2,4-triazole-3-thione Formula: C25H34N5OS+ MolecularWeight: 452.63536

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4C(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4C(C)C

InChI

InChI=1S/C25H33N5OS/c1-5-27-14-16-28(17-15-27)18-29-25(32)30(23-9-7-6-8-22(23)19(2)3)24(26-29)20-10-12-21(31-4)13-11-20/h6-13,19H,5,14-18H2,1-4H3/p+1