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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4S/c1-14-8-6-12-17(15(14)2)22-18(19-20-21-22)23-13-7-11-16-9-4-3-5-10-16/h3-12H,13H2,1-2H3/b11-7+