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

Systemtic Name: 3-(1,3-dioxolan-2-yl)-4-(2-methylpropylsulfanyl)-6-nitro-1-phenyl-indazole Openeye Name: 3-(1,3-dioxolan-2-yl)-4-isobutylsulfanyl-6-nitro-1-phenyl-indazole CAS Name: 3-(1,3-dioxolan-2-yl)-4-(2-methylpropylthio)-6-nitro-1-phenylindazole IUPAC Name: 3-(1,3-dioxolan-2-yl)-4-(2-methylpropylsulfanyl)-6-nitro-1-phenylindazole Traditional Name: 3-(1,3-dioxolan-2-yl)-4-(isobutylthio)-6-nitro-1-phenyl-indazole Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C2C(=CC(=C1)[N+](=O)[O-])N(N=C2C3OCCO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CSC1=C2C(=CC(=C1)[N+](=O)[O-])N(N=C2C3OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O4S/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