5-[5-chloranyl-2-(phenylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine

Systemtic Name: 5-[5-chloranyl-2-(phenylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine Openeye Name: 5-(2-benzylsulfanyl-5-chloro-phenyl)-1H-pyrazol-3-amine CAS Name: 5-[5-chloro-2-(phenylmethylthio)phenyl]-1H-pyrazol-3-amine IUPAC Name: 5-(2-benzylsulfanyl-5-chlorophenyl)-1H-pyrazol-3-amine Traditional Name: [5-[2-(benzylthio)-5-chloro-phenyl]-1H-pyrazol-3-yl]amine Formula: C16H14ClN3S MolecularWeight: 315.82046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)Cl)C3=CC(=NN3)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)Cl)C3=CC(=NN3)N

InChI

InChI=1S/C16H14ClN3S/c17-12-6-7-15(21-10-11-4-2-1-3-5-11)13(8-12)14-9-16(18)20-19-14/h1-9H,10H2,(H3,18,19,20)