2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl-phenyl-methyl]-4-nitro-aniline

Systemtic Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl-phenyl-methyl]-4-nitro-aniline Openeye Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl-phenyl-methyl]-4-nitro-aniline CAS Name: 2-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]-phenylmethyl]-4-nitroaniline IUPAC Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl-phenylmethyl]-4-nitroaniline Traditional Name: [2-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]-phenyl-methyl]-4-nitro-phenyl]amine Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CSC(C2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

CC1=NOC(=N1)CSC(C2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H16N4O3S/c1-11-19-16(24-20-11)10-25-17(12-5-3-2-4-6-12)14-9-13(21(22)23)7-8-15(14)18/h2-9,17H,10,18H2,1H3