N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-aniline

Systemtic Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-aniline Openeye Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-aniline CAS Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methylthio)aniline IUPAC Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylaniline Traditional Name: (3,5-dimethyl-1H-pyrazol-4-yl)methyl-[4-(methylthio)phenyl]amine Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C(=NN1)C)CNC2=CC=C(C=C2)SC

InChI

InChI=1S/C13H17N3S/c1-9-13(10(2)16-15-9)8-14-11-4-6-12(17-3)7-5-11/h4-7,14H,8H2,1-3H3,(H,15,16)