N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-methylsulfanyl-propan-1-amine

Systemtic Name: N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-methylsulfanyl-propan-1-amine Openeye Name: N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-methylsulfanyl-propan-1-amine CAS Name: N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(methylthio)-1-propanamine IUPAC Name: N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[3-(methylthio)propyl]amine Formula: C16H23N3S MolecularWeight: 289.43892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)CNCCCSC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)CNCCCSC)C

InChI

InChI=1S/C16H23N3S/c1-12-5-6-14(9-13(12)2)16-15(11-18-19-16)10-17-7-4-8-20-3/h5-6,9,11,17H,4,7-8,10H2,1-3H3,(H,18,19)