N,N-diethyl-4-[4-ethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline

Systemtic Name: N,N-diethyl-4-[4-ethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline Openeye Name: N,N-diethyl-4-[4-ethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline CAS Name: N,N-diethyl-4-[4-ethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-3-yl]aniline IUPAC Name: N,N-diethyl-4-[4-ethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline Traditional Name: diethyl-[4-[4-ethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-3-yl]phenyl]amine Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=C(C=C4)N(CC)CC

Isomeric SMILES

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=C(C=C4)N(CC)CC

InChI

InChI=1S/C23H27N5O4S/c1-4-26(5-2)19-9-7-16(8-10-19)22-24-25-23(27(22)6-3)33-14-18-12-20(28(29)30)11-17-13-31-15-32-21(17)18/h7-12H,4-6,13-15H2,1-3H3