1-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]pyrazol-3-amine

Systemtic Name: 1-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]pyrazol-3-amine Openeye Name: 1-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]pyrazol-3-amine CAS Name: 1-[3-(methylaminomethyl)-4-[4-(methylthio)phenoxy]phenyl]-3-pyrazolamine IUPAC Name: 1-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]pyrazol-3-amine Traditional Name: [5-(3-aminopyrazol-1-yl)-2-[4-(methylthio)phenoxy]benzyl]-methyl-amine Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)N2C=CC(=N2)N)OC3=CC=C(C=C3)SC

Isomeric SMILES

CNCC1=C(C=CC(=C1)N2C=CC(=N2)N)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C18H20N4OS/c1-20-12-13-11-14(22-10-9-18(19)21-22)3-8-17(13)23-15-4-6-16(24-2)7-5-15/h3-11,20H,12H2,1-2H3,(H2,19,21)