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

Systemtic Name: N-(1-adamantyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SC(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SC(C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N4O2S/c1-4-6-27-20(19-5-7-29-14(19)2)25-26-22(27)30-15(3)21(28)24-23-11-16-8-17(12-23)10-18(9-16)13-23/h4-5,7,15-18H,1,6,8-13H2,2-3H3,(H,24,28)