N-[4-[4-methyl-5-[2-oxidanylidene-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide

Systemtic Name: N-[4-[4-methyl-5-[2-oxidanylidene-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide Openeye Name: N-[4-[4-methyl-5-[2-oxo-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide CAS Name: N-[4-[4-methyl-5-[[2-oxo-2-[[(2S)-2-oxolanyl]methylamino]ethyl]thio]-1,2,4-triazol-3-yl]phenyl]propanamide IUPAC Name: N-[4-[4-methyl-5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide Traditional Name: N-[4-[5-[[2-keto-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]propionamide Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NCC3CCCO3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC[C@@H]3CCCO3

InChI

InChI=1S/C19H25N5O3S/c1-3-16(25)21-14-8-6-13(7-9-14)18-22-23-19(24(18)2)28-12-17(26)20-11-15-5-4-10-27-15/h6-9,15H,3-5,10-12H2,1-2H3,(H,20,26)(H,21,25)/t15-/m0/s1