2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone Openeye Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone IUPAC Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone Traditional Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3O2S/c1-4-5-26-14(2)6-19(15(26)3)20(27)13-29-22-25-24-21(28-22)23-10-16-7-17(11-23)9-18(8-16)12-23/h4,6,16-18H,1,5,7-13H2,2-3H3