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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CSC1=NN=C(N1C2CC2)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCNC(=O)CSC1=NN=C(N1C2CC2)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H30N4OS/c1-2-5-22-19(26)13-27-20-24-23-18(25(20)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)