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

Systemtic Name: 4-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline Openeye Name: 4-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline CAS Name: 4-[5-[(2-methoxy-5-nitrophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]aniline IUPAC Name: 4-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline Traditional Name: [4-[5-[(2-methoxy-5-nitro-benzyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]amine Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=C(C=C3)N

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=C(C=C3)N

InChI

InChI=1S/C17H17N5O3S/c1-21-16(11-3-5-13(18)6-4-11)19-20-17(21)26-10-12-9-14(22(23)24)7-8-15(12)25-2/h3-9H,10,18H2,1-2H3