3-[3-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-(1-adamantylamino)-2-oxoethyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H29N5O2S/c21-16(26)3-4-25-18(15-1-2-15)23-24-19(25)28-11-17(27)22-20-8-12-5-13(9-20)7-14(6-12)10-20/h12-15H,1-11H2,(H2,21,26)(H,22,27)