3-[[5-[(2-nitrophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-phenyl-amino]benzenethiol

Systemtic Name: 3-[[5-[(2-nitrophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-phenyl-amino]benzenethiol Openeye Name: 3-(N-[5-[(2-nitrophenoxy)methyl]-1H-1,2,4-triazol-3-yl]anilino)benzenethiol CAS Name: 3-(N-[5-[(2-nitrophenoxy)methyl]-1H-1,2,4-triazol-3-yl]anilino)benzenethiol IUPAC Name: 3-(N-[5-[(2-nitrophenoxy)methyl]-1H-1,2,4-triazol-3-yl]anilino)benzenethiol Traditional Name: 3-(N-[5-[(2-nitrophenoxy)methyl]-1H-1,2,4-triazol-3-yl]anilino)benzenethiol Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC(=CC=C2)S)C3=NNC(=N3)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC(=CC=C2)S)C3=NNC(=N3)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O3S/c27-26(28)18-11-4-5-12-19(18)29-14-20-22-21(24-23-20)25(15-7-2-1-3-8-15)16-9-6-10-17(30)13-16/h1-13,30H,14H2,(H,22,23,24)