3-[(4-nitrophenoxy)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-nitrophenoxy)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-[(4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-nitrophenoxy)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-[(4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-[(4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NNC2=S)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NNC2=S)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S/c21-20(22)13-6-8-14(9-7-13)23-11-15-17-18-16(24)19(15)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,24)