3-ethyl-4-iodanyl-1-[(4-methylsulfanylphenyl)methyl]pyrazole

Systemtic Name: 3-ethyl-4-iodanyl-1-[(4-methylsulfanylphenyl)methyl]pyrazole Openeye Name: 3-ethyl-4-iodo-1-[(4-methylsulfanylphenyl)methyl]pyrazole CAS Name: 3-ethyl-4-iodo-1-[[4-(methylthio)phenyl]methyl]pyrazole IUPAC Name: 3-ethyl-4-iodo-1-[(4-methylsulfanylphenyl)methyl]pyrazole Traditional Name: 3-ethyl-4-iodo-1-[4-(methylthio)benzyl]pyrazole Formula: C13H15IN2S MolecularWeight: 358.24107

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C=C1I)CC2=CC=C(C=C2)SC

Isomeric SMILES

CCC1=NN(C=C1I)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C13H15IN2S/c1-3-13-12(14)9-16(15-13)8-10-4-6-11(17-2)7-5-10/h4-7,9H,3,8H2,1-2H3