N-[4-[4-cyclohexyl-5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[4-cyclohexyl-5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[4-cyclohexyl-5-(2-morpholino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]methanesulfonamide CAS Name: N-[4-[4-cyclohexyl-5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-cyclohexyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[4-cyclohexyl-5-[(2-keto-2-morpholino-ethyl)thio]-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)N4CCOCC4

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)N4CCOCC4

InChI

InChI=1S/C21H29N5O4S2/c1-32(28,29)24-17-9-7-16(8-10-17)20-22-23-21(26(20)18-5-3-2-4-6-18)31-15-19(27)25-11-13-30-14-12-25/h7-10,18,24H,2-6,11-15H2,1H3