4-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole-5-thione; nitrobenzene

Systemtic Name: 4-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole-5-thione; nitrobenzene Openeye Name: 4-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole-5-thione; nitrobenzene CAS Name: 4-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole-5-thione; nitrobenzene IUPAC Name: 4-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole-5-thione; nitrobenzene Traditional Name: 4-(4-chlorobenzyl)-1H-1,2,4-triazole-5-thione; nitrobenzene Formula: C15H13ClN4O2S MolecularWeight: 348.80732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1CN2C=NNC2=S)Cl

Isomeric SMILES

C1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1CN2C=NNC2=S)Cl

InChI

InChI=1S/C9H8ClN3S.C6H5NO2/c10-8-3-1-7(2-4-8)5-13-6-11-12-9(13)14;8-7(9)6-4-2-1-3-5-6/h1-4,6H,5H2,(H,12,14);1-5H