4-(2-methylpropylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazole

Systemtic Name: 4-(2-methylpropylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazole Openeye Name: 4-isobutylsulfanyl-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazole CAS Name: 4-(2-methylpropylthio)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenylindazole IUPAC Name: 4-(2-methylpropylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenylindazole Traditional Name: 4-(isobutylthio)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazole Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C2C(=CC(=C1)[N+](=O)[O-])N(N=C2C3OCCS3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CSC1=C2C(=CC(=C1)[N+](=O)[O-])N(N=C2C3OCCS3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S2/c1-13(2)12-28-17-11-15(23(24)25)10-16-18(17)19(20-26-8-9-27-20)21-22(16)14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9,12H2,1-2H3