2-[(1-phenylpyrazol-4-yl)methylsulfanyl]ethanamine

Systemtic Name: 2-[(1-phenylpyrazol-4-yl)methylsulfanyl]ethanamine Openeye Name: 2-[(1-phenylpyrazol-4-yl)methylsulfanyl]ethanamine CAS Name: 2-[(1-phenyl-4-pyrazolyl)methylthio]ethanamine IUPAC Name: 2-[(1-phenylpyrazol-4-yl)methylsulfanyl]ethanamine Traditional Name: 2-[(1-phenylpyrazol-4-yl)methylthio]ethylamine Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CSCCN

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CSCCN

InChI

InChI=1S/C12H15N3S/c13-6-7-16-10-11-8-14-15(9-11)12-4-2-1-3-5-12/h1-5,8-9H,6-7,10,13H2