3-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline

Systemtic Name: 3-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline Openeye Name: 3-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline CAS Name: 3-(methylthio)-N-[(1-phenyl-4-pyrazolyl)methyl]aniline IUPAC Name: 3-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline Traditional Name: [3-(methylthio)phenyl]-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3S/c1-21-17-9-5-6-15(10-17)18-11-14-12-19-20(13-14)16-7-3-2-4-8-16/h2-10,12-13,18H,11H2,1H3