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

Systemtic Name: 4-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-4-methyl-1,2,4-triazole CAS Name: 4-methyl-3-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazole IUPAC Name: 4-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-4-methyl-1,2,4-triazole Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC=CC2=CC=CC=C2

Isomeric SMILES

CN1C=NN=C1SC/C=C/C2=CC=CC=C2

InChI

InChI=1S/C12H13N3S/c1-15-10-13-14-12(15)16-9-5-8-11-6-3-2-4-7-11/h2-8,10H,9H2,1H3/b8-5+