5-(3-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(3-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(3-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(3-methoxyphenyl)-2-(4-morpholin-4-iumylmethyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(3-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(3-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C20H22N4O2S/c1-25-18-9-5-6-16(14-18)19-21-23(15-22-10-12-26-13-11-22)20(27)24(19)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3/p+1