[5-(furan-2-ylmethylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]methylazanium

Systemtic Name: [5-(furan-2-ylmethylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]methylazanium Openeye Name: [5-(2-furylmethylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]methylammonium CAS Name: [5-(2-furanylmethylthio)-3-methyl-1-phenyl-4-pyrazolyl]methylammonium IUPAC Name: [5-(furan-2-ylmethylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methylazanium Traditional Name: [5-(2-furfurylthio)-3-methyl-1-phenyl-pyrazol-4-yl]methylammonium Formula: C16H18N3OS+ MolecularWeight: 300.39862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH3+])SCC2=CC=CO2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH3+])SCC2=CC=CO2)C3=CC=CC=C3

InChI

InChI=1S/C16H17N3OS/c1-12-15(10-17)16(21-11-14-8-5-9-20-14)19(18-12)13-6-3-2-4-7-13/h2-9H,10-11,17H2,1H3/p+1