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

Systemtic Name: [5-(furan-2-ylmethylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]methanamine Openeye Name: [5-(2-furylmethylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]methanamine CAS Name: [5-(2-furanylmethylthio)-3-methyl-1-phenyl-4-pyrazolyl]methanamine IUPAC Name: [5-(furan-2-ylmethylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine Traditional Name: [5-(2-furfurylthio)-3-methyl-1-phenyl-pyrazol-4-yl]methylamine Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN)SCC2=CC=CO2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1CN)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