4-cyclohexyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[(2-methoxy-5-nitrophenyl)methylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[(2-methoxy-5-nitro-benzyl)thio]-5-(2-thenyl)-1,2,4-triazole Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C21H24N4O3S2/c1-28-19-10-9-17(25(26)27)12-15(19)14-30-21-23-22-20(13-18-8-5-11-29-18)24(21)16-6-3-2-4-7-16/h5,8-12,16H,2-4,6-7,13-14H2,1H3