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

Systemtic Name: 4-(3,4-dimethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 4-(3,4-dimethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-(3,4-dimethylphenyl)-2-(4-morpholin-4-iumylmethyl)-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 4-(3,4-dimethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-(3,4-dimethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-1,2,4-triazole-3-thione Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H24N4OS/c1-16-8-9-19(14-17(16)2)25-20(18-6-4-3-5-7-18)22-24(21(25)27)15-23-10-12-26-13-11-23/h3-9,14H,10-13,15H2,1-2H3/p+1