(3-methyl-1-phenyl-5-pyrimidin-2-ylsulfanyl-pyrazol-4-yl)methylazanium

Systemtic Name: (3-methyl-1-phenyl-5-pyrimidin-2-ylsulfanyl-pyrazol-4-yl)methylazanium Openeye Name: (3-methyl-1-phenyl-5-pyrimidin-2-ylsulfanyl-pyrazol-4-yl)methylammonium CAS Name: [3-methyl-1-phenyl-5-(2-pyrimidinylthio)-4-pyrazolyl]methylammonium IUPAC Name: (3-methyl-1-phenyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methylazanium Traditional Name: [3-methyl-1-phenyl-5-(2-pyrimidylthio)pyrazol-4-yl]methylammonium Formula: C15H16N5S+ MolecularWeight: 298.38604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH3+])SC2=NC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH3+])SC2=NC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H15N5S/c1-11-13(10-16)14(21-15-17-8-5-9-18-15)20(19-11)12-6-3-2-4-7-12/h2-9H,10,16H2,1H3/p+1