4-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde

Systemtic Name: 4-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzaldehyde CAS Name: 4-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-3-nitrobenzaldehyde IUPAC Name: 4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzaldehyde Formula: C18H16N4O3S MolecularWeight: 368.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)C=O)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)C=O)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H16N4O3S/c1-2-21-17(11-13-6-4-3-5-7-13)19-20-18(21)26-16-9-8-14(12-23)10-15(16)22(24)25/h3-10,12H,2,11H2,1H3