5-bromanyl-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]aniline

Systemtic Name: 5-bromanyl-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]aniline Openeye Name: 5-bromo-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]aniline CAS Name: 5-bromo-2-[(1-phenyl-4-pyrazolyl)methylthio]aniline IUPAC Name: 5-bromo-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]aniline Traditional Name: [5-bromo-2-[(1-phenylpyrazol-4-yl)methylthio]phenyl]amine Formula: C16H14BrN3S MolecularWeight: 360.27146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CSC3=C(C=C(C=C3)Br)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CSC3=C(C=C(C=C3)Br)N

InChI

InChI=1S/C16H14BrN3S/c17-13-6-7-16(15(18)8-13)21-11-12-9-19-20(10-12)14-4-2-1-3-5-14/h1-10H,11,18H2