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

Systemtic Name: 3-[[5-(2-methylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propylazanium Openeye Name: 3-[(5-isobutyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propylammonium CAS Name: 3-[[5-(2-methylpropyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propylammonium IUPAC Name: 3-[[5-(2-methylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propylazanium Traditional Name: 3-[(5-isobutyl-4-phenyl-1,2,4-triazol-3-yl)thio]propylammonium Formula: C15H23N4S+ MolecularWeight: 291.43492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(N1C2=CC=CC=C2)SCCC[NH3+]

Isomeric SMILES

CC(C)CC1=NN=C(N1C2=CC=CC=C2)SCCC[NH3+]

InChI

InChI=1S/C15H22N4S/c1-12(2)11-14-17-18-15(20-10-6-9-16)19(14)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11,16H2,1-2H3/p+1