3-butyl-5-[(2-chlorophenyl)methylsulfanyl]-4-[(4-nitrophenyl)methyl]-1,2,4-triazole

Systemtic Name: 3-butyl-5-[(2-chlorophenyl)methylsulfanyl]-4-[(4-nitrophenyl)methyl]-1,2,4-triazole Openeye Name: 3-butyl-5-[(2-chlorophenyl)methylsulfanyl]-4-[(4-nitrophenyl)methyl]-1,2,4-triazole CAS Name: 3-butyl-5-[(2-chlorophenyl)methylthio]-4-[(4-nitrophenyl)methyl]-1,2,4-triazole IUPAC Name: 3-butyl-5-[(2-chlorophenyl)methylsulfanyl]-4-[(4-nitrophenyl)methyl]-1,2,4-triazole Traditional Name: 3-butyl-5-[(2-chlorobenzyl)thio]-4-(4-nitrobenzyl)-1,2,4-triazole Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3Cl

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H21ClN4O2S/c1-2-3-8-19-22-23-20(28-14-16-6-4-5-7-18(16)21)24(19)13-15-9-11-17(12-10-15)25(26)27/h4-7,9-12H,2-3,8,13-14H2,1H3