2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-ethanamide Openeye Name: 2-[[5-(1-adamantylmethyl)-4-allyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylacetamide Traditional Name: 2-[[5-(1-adamantylmethyl)-4-allyl-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-acetamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CC2)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CC2)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H30N4OS/c1-2-5-25-18(23-24-20(25)27-13-19(26)22-17-3-4-17)12-21-9-14-6-15(10-21)8-16(7-14)11-21/h2,14-17H,1,3-13H2,(H,22,26)