4-methyl-3-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 4-methyl-3-(4-nitrophenyl)-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SC/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O2S/c1-21-17(15-9-11-16(12-10-15)22(23)24)19-20-18(21)25-13-5-8-14-6-3-2-4-7-14/h2-12H,13H2,1H3/b8-5+