4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-[(1R)-1-phenoxyethyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-[(1R)-1-phenoxyethyl]-1,2,4-triazole Openeye Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-[(1R)-1-phenoxyethyl]-1,2,4-triazole CAS Name: 4-methyl-3-[(4-nitrophenyl)methylthio]-5-[(1R)-1-phenoxyethyl]-1,2,4-triazole IUPAC Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-[(1R)-1-phenoxyethyl]-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-nitrobenzyl)thio]-5-[(1R)-1-phenoxyethyl]-1,2,4-triazole Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C)SCC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=NN=C(N1C)SCC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-13(25-16-6-4-3-5-7-16)17-19-20-18(21(17)2)26-12-14-8-10-15(11-9-14)22(23)24/h3-11,13H,12H2,1-2H3/t13-/m1/s1