5-[5-chloranyl-2-(phenylmethylsulfanyl)phenyl]-4-iodanyl-1H-pyrazol-3-amine

Systemtic Name: 5-[5-chloranyl-2-(phenylmethylsulfanyl)phenyl]-4-iodanyl-1H-pyrazol-3-amine Openeye Name: 5-(2-benzylsulfanyl-5-chloro-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 5-[5-chloro-2-(phenylmethylthio)phenyl]-4-iodo-1H-pyrazol-3-amine IUPAC Name: 5-(2-benzylsulfanyl-5-chlorophenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [5-[2-(benzylthio)-5-chloro-phenyl]-4-iodo-1H-pyrazol-3-yl]amine Formula: C16H13ClIN3S MolecularWeight: 441.71699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClIN3S/c17-11-6-7-13(22-9-10-4-2-1-3-5-10)12(8-11)15-14(18)16(19)21-20-15/h1-8H,9H2,(H3,19,20,21)