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

Systemtic Name: 4-cyclohexyl-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[(3-nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[(3-nitrobenzyl)thio]-5-phenyl-1,2,4-triazole Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c26-25(27)19-13-7-8-16(14-19)15-28-21-23-22-20(17-9-3-1-4-10-17)24(21)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2