1-(2,5-dimethylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,3,4-tetrazole

Systemtic Name: 1-(2,5-dimethylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,3,4-tetrazole Openeye Name: 5-[(E)-cinnamyl]sulfanyl-1-(2,5-dimethylphenyl)tetrazole CAS Name: 1-(2,5-dimethylphenyl)-5-[[(E)-3-phenylprop-2-enyl]thio]tetrazole IUPAC Name: 1-(2,5-dimethylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyltetrazole Traditional Name: 5-[[(E)-cinnamyl]thio]-1-(2,5-dimethylphenyl)tetrazole Formula: C18H18N4S MolecularWeight: 322.42732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H18N4S/c1-14-10-11-15(2)17(13-14)22-18(19-20-21-22)23-12-6-9-16-7-4-3-5-8-16/h3-11,13H,12H2,1-2H3/b9-6+