5-(3-cyano-2-methyl-6-oxidanyl-hexan-3-yl)thiophene-2-carbonitrile

Systemtic Name: 5-(3-cyano-2-methyl-6-oxidanyl-hexan-3-yl)thiophene-2-carbonitrile Openeye Name: 5-(1-cyano-4-hydroxy-1-isopropyl-butyl)thiophene-2-carbonitrile CAS Name: 5-(3-cyano-6-hydroxy-2-methylhexan-3-yl)-2-thiophenecarbonitrile IUPAC Name: 5-(3-cyano-6-hydroxy-2-methylhexan-3-yl)thiophene-2-carbonitrile Traditional Name: 5-(1-cyano-4-hydroxy-1-isopropyl-butyl)thiophene-2-carbonitrile Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCO)(C#N)C1=CC=C(S1)C#N

Isomeric SMILES

CC(C)C(CCCO)(C#N)C1=CC=C(S1)C#N

InChI

InChI=1S/C13H16N2OS/c1-10(2)13(9-15,6-3-7-16)12-5-4-11(8-14)17-12/h4-5,10,16H,3,6-7H2,1-2H3