[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)thio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)thio]-3-nitro-phenyl]-phenyl-methanone Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(O2)SC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NN=C(O2)SC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S/c25-19(14-7-3-1-4-8-14)16-11-12-18(17(13-16)24(26)27)29-21-23-22-20(28-21)15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2