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

Systemtic Name: 3-(4-bromophenyl)-4-cyclohexyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-4-cyclohexyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-4-cyclohexyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-4-cyclohexyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-4-cyclohexyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C21H21BrN4O2S MolecularWeight: 473.38604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4O2S/c22-17-10-8-16(9-11-17)20-23-24-21(25(20)18-4-2-1-3-5-18)29-14-15-6-12-19(13-7-15)26(27)28/h6-13,18H,1-5,14H2