3-chloranyl-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]aniline

Systemtic Name: 3-chloranyl-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]aniline Openeye Name: 3-chloro-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]aniline CAS Name: 3-chloro-2-[(1-phenyl-4-pyrazolyl)methylthio]aniline IUPAC Name: 3-chloro-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]aniline Traditional Name: [3-chloro-2-[(1-phenylpyrazol-4-yl)methylthio]phenyl]amine Formula: C16H14ClN3S MolecularWeight: 315.82046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CSC3=C(C=CC=C3Cl)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CSC3=C(C=CC=C3Cl)N

InChI

InChI=1S/C16H14ClN3S/c17-14-7-4-8-15(18)16(14)21-11-12-9-19-20(10-12)13-5-2-1-3-6-13/h1-10H,11,18H2