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

Systemtic Name: 3-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propylazanium Openeye Name: 3-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propylammonium CAS Name: 3-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propylammonium IUPAC Name: 3-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propylazanium Traditional Name: 3-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propylammonium Formula: C16H18N5S+ MolecularWeight: 312.41262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5S/c17-9-5-11-22-16-20-19-15(13-6-4-10-18-12-13)21(16)14-7-2-1-3-8-14/h1-4,6-8,10,12H,5,9,11,17H2/p+1