3-(4-tert-butylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-tert-butylphenyl)-5-[(E)-cinnamyl]sulfanyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[[(E)-3-phenylprop-2-enyl]thio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-tert-butylphenyl)-5-[[(E)-cinnamyl]thio]-1,2,4-triazole Formula: C24H27N3S MolecularWeight: 389.55628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC=CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H27N3S/c1-5-17-27-22(20-13-15-21(16-14-20)24(2,3)4)25-26-23(27)28-18-9-12-19-10-7-6-8-11-19/h5-16H,1,17-18H2,2-4H3/b12-9+