5-(4-bromophenyl)-4-(4-ethoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-bromophenyl)-4-(4-ethoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-bromophenyl)-4-(4-ethoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-bromophenyl)-4-(4-ethoxyphenyl)-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-bromophenyl)-4-(4-ethoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-bromophenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-p-phenetyl-1,2,4-triazole-3-thione Formula: C21H24BrN4O2S+ MolecularWeight: 476.40986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H23BrN4O2S/c1-2-28-19-9-7-18(8-10-19)26-20(16-3-5-17(22)6-4-16)23-25(21(26)29)15-24-11-13-27-14-12-24/h3-10H,2,11-15H2,1H3/p+1