N-[4-chloranyl-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-1-methyl-pyrrole-2-carbothioamide

Systemtic Name: N-[4-chloranyl-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-1-methyl-pyrrole-2-carbothioamide Openeye Name: N-[3-[(E)-tert-butoxyiminomethyl]-4-chloro-phenyl]-1-methyl-pyrrole-2-carbothioamide CAS Name: N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-1-methyl-2-pyrrolecarbothioamide IUPAC Name: N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-1-methylpyrrole-2-carbothioamide Traditional Name: N-[3-[(E)-tert-butyloximinomethyl]-4-chloro-phenyl]-1-methyl-pyrrole-2-carbothioamide Formula: C17H20ClN3OS MolecularWeight: 349.8782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)ON=CC1=C(C=CC(=C1)NC(=S)C2=CC=CN2C)Cl

Isomeric SMILES

CC(C)(C)O/N=C/C1=C(C=CC(=C1)NC(=S)C2=CC=CN2C)Cl

InChI

InChI=1S/C17H20ClN3OS/c1-17(2,3)22-19-11-12-10-13(7-8-14(12)18)20-16(23)15-6-5-9-21(15)4/h5-11H,1-4H3,(H,20,23)/b19-11+