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

Systemtic Name: N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfanyl-aniline Openeye Name: N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfanyl-aniline CAS Name: N-[(1-methyl-4-pyrazolyl)methyl]-4-(methylthio)aniline IUPAC Name: N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline Traditional Name: (1-methylpyrazol-4-yl)methyl-[4-(methylthio)phenyl]amine Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=CC=C(C=C2)SC

Isomeric SMILES

CN1C=C(C=N1)CNC2=CC=C(C=C2)SC

InChI

InChI=1S/C12H15N3S/c1-15-9-10(8-14-15)7-13-11-3-5-12(16-2)6-4-11/h3-6,8-9,13H,7H2,1-2H3