[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methyl-1-phenyl-pyrazol-4-yl]methylazanium

Systemtic Name: [5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methyl-1-phenyl-pyrazol-4-yl]methylazanium Openeye Name: [5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methyl-1-phenyl-pyrazol-4-yl]methylammonium CAS Name: [5-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-methyl-1-phenyl-4-pyrazolyl]methylammonium IUPAC Name: [5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methylazanium Traditional Name: [5-[(4,6-dimethylpyrimidin-2-yl)thio]-3-methyl-1-phenyl-pyrazol-4-yl]methylammonium Formula: C17H20N5S+ MolecularWeight: 326.4392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=NN2C3=CC=CC=C3)C)C[NH3+])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=NN2C3=CC=CC=C3)C)C[NH3+])C

InChI

InChI=1S/C17H19N5S/c1-11-9-12(2)20-17(19-11)23-16-15(10-18)13(3)21-22(16)14-7-5-4-6-8-14/h4-9H,10,18H2,1-3H3/p+1