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

Systemtic Name: 4-iodanyl-5-[4-(phenylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine Openeye Name: 5-(4-benzylsulfanylphenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 4-iodo-5-[4-(phenylmethylthio)phenyl]-1H-pyrazol-3-amine IUPAC Name: 5-(4-benzylsulfanylphenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [5-[4-(benzylthio)phenyl]-4-iodo-1H-pyrazol-3-yl]amine Formula: C16H14IN3S MolecularWeight: 407.27193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14IN3S/c17-14-15(19-20-16(14)18)12-6-8-13(9-7-12)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,18,19,20)