N-[5-tert-butyl-3-[(1-methylsulfonylazetidin-3-yl)methyl]-1,3-thiazol-2-ylidene]-5-chloranyl-N'-cyano-2-methoxy-benzenecarboximidamide

Systemtic Name: N-[5-tert-butyl-3-[(1-methylsulfonylazetidin-3-yl)methyl]-1,3-thiazol-2-ylidene]-5-chloranyl-N'-cyano-2-methoxy-benzenecarboximidamide Openeye Name: N-[5-tert-butyl-3-[(1-methylsulfonylazetidin-3-yl)methyl]thiazol-2-ylidene]-5-chloro-N'-cyano-2-methoxy-benzamidine CAS Name: N-[5-tert-butyl-3-[(1-methylsulfonyl-3-azetidinyl)methyl]-2-thiazolylidene]-5-chloro-N'-cyano-2-methoxybenzenecarboximidamide IUPAC Name: N-[5-tert-butyl-3-[(1-methylsulfonylazetidin-3-yl)methyl]-1,3-thiazol-2-ylidene]-5-chloro-N'-cyano-2-methoxybenzenecarboximidamide Traditional Name: N-[5-tert-butyl-3-[(1-mesylazetidin-3-yl)methyl]-4-thiazolin-2-ylidene]-5-chloro-N'-cyano-2-methoxy-benzamidine Formula: C21H26ClN5O3S2 MolecularWeight: 496.04584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN(C(=NC(=NC#N)C2=C(C=CC(=C2)Cl)OC)S1)CC3CN(C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CN(C(=NC(=NC#N)C2=C(C=CC(=C2)Cl)OC)S1)CC3CN(C3)S(=O)(=O)C

InChI

InChI=1S/C21H26ClN5O3S2/c1-21(2,3)18-12-26(9-14-10-27(11-14)32(5,28)29)20(31-18)25-19(24-13-23)16-8-15(22)6-7-17(16)30-4/h6-8,12,14H,9-11H2,1-5H3