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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(E)-3-(4-nitrophenyl)prop-2-enyl]sulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(E)-3-(4-nitrophenyl)allyl]sulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enyl]thio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(E)-3-(4-nitrophenyl)prop-2-enyl]sulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[[(E)-3-(4-nitrophenyl)allyl]thio]-4-phenyl-1,2,4-triazole Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O2S/c1-27(2,3)22-15-13-21(14-16-22)25-28-29-26(30(25)23-9-5-4-6-10-23)34-19-7-8-20-11-17-24(18-12-20)31(32)33/h4-18H,19H2,1-3H3/b8-7+