4-[2-[2-(5-nitro-3-phenylmethoxy-indazol-1-yl)ethoxy]ethyl]thiomorpholine

Systemtic Name: 4-[2-[2-(5-nitro-3-phenylmethoxy-indazol-1-yl)ethoxy]ethyl]thiomorpholine Openeye Name: 4-[2-[2-(3-benzyloxy-5-nitro-indazol-1-yl)ethoxy]ethyl]thiomorpholine CAS Name: 4-[2-[2-(5-nitro-3-phenylmethoxy-1-indazolyl)ethoxy]ethyl]thiomorpholine IUPAC Name: 4-[2-[2-(5-nitro-3-phenylmethoxyindazol-1-yl)ethoxy]ethyl]thiomorpholine Traditional Name: 4-[2-[2-(3-benzoxy-5-nitro-indazol-1-yl)ethoxy]ethyl]thiomorpholine Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CCOCCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4

Isomeric SMILES

C1CSCCN1CCOCCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O4S/c27-26(28)19-6-7-21-20(16-19)22(30-17-18-4-2-1-3-5-18)23-25(21)9-13-29-12-8-24-10-14-31-15-11-24/h1-7,16H,8-15,17H2