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

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propylazanium Openeye Name: 3-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propylammonium CAS Name: 3-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propylammonium IUPAC Name: 3-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propylazanium Traditional Name: 3-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propylammonium Formula: C16H25N4S+ MolecularWeight: 305.4615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4S/c1-16(2,3)13-8-6-12(7-9-13)14-18-19-15(20(14)4)21-11-5-10-17/h6-9H,5,10-11,17H2,1-4H3/p+1