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

Systemtic Name: 5-(4-methylphenyl)-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-(4-methylphenyl)-3-[[(E)-3-phenylprop-2-enyl]thio]-1H-1,2,4-triazole IUPAC Name: 5-(4-methylphenyl)-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C18H17N3S MolecularWeight: 307.41268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H17N3S/c1-14-9-11-16(12-10-14)17-19-18(21-20-17)22-13-5-8-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,19,20,21)/b8-5+