3-nitrobenzaldehyde; 4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3S.C7H5NO3/c13-9-11-10-7-12(9)6-8-4-2-1-3-5-8;9-5-6-2-1-3-7(4-6)8(10)11/h1-5,7H,6H2,(H,11,13);1-5H