[5-(1-adamantylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [5-(1-adamantylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-(1-adamantylamino)-1-allyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone CAS Name: [5-(1-adamantylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-(1-adamantylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone Traditional Name: [5-(1-adamantylamino)-1-allyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone Formula: C25H36N4OS MolecularWeight: 440.64454

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)NC34CC5CC(C3)CC(C5)C4)C(=N1)C(=O)N6CCSCC6

Isomeric SMILES

C=CCN1C2=C(CC(CC2)NC34CC5CC(C3)CC(C5)C4)C(=N1)C(=O)N6CCSCC6

InChI

InChI=1S/C25H36N4OS/c1-2-5-29-22-4-3-20(26-25-14-17-10-18(15-25)12-19(11-17)16-25)13-21(22)23(27-29)24(30)28-6-8-31-9-7-28/h2,17-20,26H,1,3-16H2