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

Systemtic Name: 3-chloranyl-4-[(1-phenylpyrazol-4-yl)methylsulfanyl]aniline Openeye Name: 3-chloro-4-[(1-phenylpyrazol-4-yl)methylsulfanyl]aniline CAS Name: 3-chloro-4-[(1-phenyl-4-pyrazolyl)methylthio]aniline IUPAC Name: 3-chloro-4-[(1-phenylpyrazol-4-yl)methylsulfanyl]aniline Traditional Name: [3-chloro-4-[(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=C(C=C3)N)Cl

Isomeric SMILES

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

InChI

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