4-chloranyl-2-[(2,4-dibutoxyphenyl)diazenyl]-5-(hydroxymethyl)thiophene-3-carbonitrile

Systemtic Name: 4-chloranyl-2-[(2,4-dibutoxyphenyl)diazenyl]-5-(hydroxymethyl)thiophene-3-carbonitrile Openeye Name: 4-chloro-2-(2,4-dibutoxyphenyl)azo-5-(hydroxymethyl)thiophene-3-carbonitrile CAS Name: 4-chloro-2-(2,4-dibutoxyphenyl)azo-5-(hydroxymethyl)-3-thiophenecarbonitrile IUPAC Name: 4-chloro-2-[(2,4-dibutoxyphenyl)diazenyl]-5-(hydroxymethyl)thiophene-3-carbonitrile Traditional Name: 4-chloro-2-(2,4-dibutoxyphenyl)azo-5-methylol-thiophene-3-carbonitrile Formula: C20H24ClN3O3S MolecularWeight: 421.94086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)N=NC2=C(C(=C(S2)CO)Cl)C#N)OCCCC

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)N=NC2=C(C(=C(S2)CO)Cl)C#N)OCCCC

InChI

InChI=1S/C20H24ClN3O3S/c1-3-5-9-26-14-7-8-16(17(11-14)27-10-6-4-2)23-24-20-15(12-22)19(21)18(13-25)28-20/h7-8,11,25H,3-6,9-10,13H2,1-2H3