3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propylazanium

Systemtic Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propylazanium Openeye Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propylammonium CAS Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propylammonium IUPAC Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propylazanium Traditional Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propylammonium Formula: C19H23N4S+ MolecularWeight: 339.47772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCCC[NH3+])C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCCC[NH3+])C3=CC=CC=C3)C

InChI

InChI=1S/C19H22N4S/c1-14-9-10-17(13-15(14)2)23-18(16-7-4-3-5-8-16)21-22-19(23)24-12-6-11-20/h3-5,7-10,13H,6,11-12,20H2,1-2H3/p+1