3-[(4-iodophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(4-iodophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(4-iodophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(4-iodophenyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(4-iodophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(4-iodobenzyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C9H9IN4S MolecularWeight: 332.16403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NNC(=N2)N)I

Isomeric SMILES

C1=CC(=CC=C1CSC2=NNC(=N2)N)I

InChI

InChI=1S/C9H9IN4S/c10-7-3-1-6(2-4-7)5-15-9-12-8(11)13-14-9/h1-4H,5H2,(H3,11,12,13,14)