3-[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCN1C(=O)NN=C1S[C@H](C)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H27N3O2S/c1-3-4-21-16(23)19-20-17(21)24-11(2)15(22)18-8-12-5-13(9-18)7-14(6-12)10-18/h11-14H,3-10H2,1-2H3,(H,19,23)/t11-,12?,13?,14?,18?/m1/s1