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

Systemtic Name: 4-iodanyl-5-[5-methyl-2-(phenylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine Openeye Name: 5-(2-benzylsulfanyl-5-methyl-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 4-iodo-5-[5-methyl-2-(phenylmethylthio)phenyl]-1H-pyrazol-3-amine IUPAC Name: 5-(2-benzylsulfanyl-5-methylphenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [5-[2-(benzylthio)-5-methyl-phenyl]-4-iodo-1H-pyrazol-3-yl]amine Formula: C17H16IN3S MolecularWeight: 421.29851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC=C2)C3=C(C(=NN3)N)I

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC=C2)C3=C(C(=NN3)N)I

InChI

InChI=1S/C17H16IN3S/c1-11-7-8-14(22-10-12-5-3-2-4-6-12)13(9-11)16-15(18)17(19)21-20-16/h2-9H,10H2,1H3,(H3,19,20,21)