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

Systemtic Name: 3-[[5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propylazanium Openeye Name: 3-[[5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propylammonium CAS Name: 3-[[5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propylammonium IUPAC Name: 3-[[5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propylazanium Traditional Name: 3-[[5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propylammonium Formula: C14H21N4S+ MolecularWeight: 277.40834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(N2C)SCCC[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(N2C)SCCC[NH3+])C

InChI

InChI=1S/C14H20N4S/c1-10-5-6-12(9-11(10)2)13-16-17-14(18(13)3)19-8-4-7-15/h5-6,9H,4,7-8,15H2,1-3H3/p+1