5-[(4-iodophenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(4-iodophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(4-iodophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(4-iodophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(4-iodophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(4-iodobenzyl)thio]-1H-1,2,4-triazole Formula: C9H8IN3S MolecularWeight: 317.14939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NN2)I

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NN2)I

InChI

InChI=1S/C9H8IN3S/c10-8-3-1-7(2-4-8)5-14-9-11-6-12-13-9/h1-4,6H,5H2,(H,11,12,13)