4-butyl-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 4-butyl-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 4-butyl-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 4-butyl-N-[1-[5-[(4-fluorophenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 4-butyl-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 4-butyl-N-[1-[5-[(4-fluorobenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C28H28FN5O3S MolecularWeight: 533.617023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC(C)C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC(C)C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)F

InChI

InChI=1S/C28H28FN5O3S/c1-3-4-5-20-6-10-22(11-7-20)27(35)30-19(2)26-31-32-28(38-18-21-8-12-23(29)13-9-21)33(26)24-14-16-25(17-15-24)34(36)37/h6-17,19H,3-5,18H2,1-2H3,(H,30,35)