2-(4-methylpentoxy)pyridine-3-carbothioamide

Systemtic Name: 2-(4-methylpentoxy)pyridine-3-carbothioamide Openeye Name: 2-isohexyloxypyridine-3-carbothioamide CAS Name: 2-(4-methylpentoxy)-3-pyridinecarbothioamide IUPAC Name: 2-(4-methylpentoxy)pyridine-3-carbothioamide Traditional Name: 2-isohexyloxythionicotinamide Formula: C12H18N2OS MolecularWeight: 238.34912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=C(C=CC=N1)C(=S)N

Isomeric SMILES

CC(C)CCCOC1=C(C=CC=N1)C(=S)N

InChI

InChI=1S/C12H18N2OS/c1-9(2)5-4-8-15-12-10(11(13)16)6-3-7-14-12/h3,6-7,9H,4-5,8H2,1-2H3,(H2,13,16)