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

Systemtic Name: 5-ethyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-5-ethyl-1H-1,2,4-triazole CAS Name: 5-ethyl-3-[[(E)-3-phenylprop-2-enyl]thio]-1H-1,2,4-triazole IUPAC Name: 5-ethyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-5-ethyl-1H-1,2,4-triazole Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC=CC2=CC=CC=C2

Isomeric SMILES

CCC1=NC(=NN1)SC/C=C/C2=CC=CC=C2

InChI

InChI=1S/C13H15N3S/c1-2-12-14-13(16-15-12)17-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3,(H,14,15,16)/b9-6+