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

Systemtic Name: 5-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-5-methyl-1H-1,2,4-triazole CAS Name: 5-methyl-3-[[(E)-3-phenylprop-2-enyl]thio]-1H-1,2,4-triazole IUPAC Name: 5-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-5-methyl-1H-1,2,4-triazole Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC=CC2=CC=CC=C2

Isomeric SMILES

CC1=NC(=NN1)SC/C=C/C2=CC=CC=C2

InChI

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