1-(1-adamantyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SC(C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SC(C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

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