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

Systemtic Name: 4-(3-chloranyl-4-methoxy-phenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 4-(3-chloro-4-methoxy-phenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-(3-chloro-4-methoxyphenyl)-2-(4-morpholin-4-iumylmethyl)-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 4-(3-chloro-4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-(3-chloro-4-methoxy-phenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-1,2,4-triazole-3-thione Formula: C20H22ClN4O2S+ MolecularWeight: 417.93228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H21ClN4O2S/c1-26-18-8-7-16(13-17(18)21)25-19(15-5-3-2-4-6-15)22-24(20(25)28)14-23-9-11-27-12-10-23/h2-8,13H,9-12,14H2,1H3/p+1