3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(4-nitrobenzyl)thio]-4-p-phenetyl-1,2,4-triazole Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H28N4O3S/c1-5-34-24-16-14-22(15-17-24)30-25(20-8-10-21(11-9-20)27(2,3)4)28-29-26(30)35-18-19-6-12-23(13-7-19)31(32)33/h6-17H,5,18H2,1-4H3