4-cyclohexyl-3-(3-nitrophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-(3-nitrophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(3-nitrophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(3-nitrophenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(3-nitrophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[(4-nitrobenzyl)thio]-5-(3-nitrophenyl)-1,2,4-triazole Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S/c27-25(28)18-11-9-15(10-12-18)14-31-21-23-22-20(24(21)17-6-2-1-3-7-17)16-5-4-8-19(13-16)26(29)30/h4-5,8-13,17H,1-3,6-7,14H2