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

Systemtic Name: N,N-diethyl-4-[4-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline Openeye Name: N,N-diethyl-4-[4-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline CAS Name: N,N-diethyl-4-[4-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-3-yl]aniline IUPAC Name: N,N-diethyl-4-[4-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline Traditional Name: diethyl-[4-[4-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-3-yl]phenyl]amine Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C22H25N5O4S/c1-4-26(5-2)18-8-6-15(7-9-18)21-23-24-22(25(21)3)32-13-17-11-19(27(28)29)10-16-12-30-14-31-20(16)17/h6-11H,4-5,12-14H2,1-3H3