5-chloranyl-4-(2-methylphenyl)-2-[(2-octoxy-5-octyl-phenyl)methyl]thiophene-3-carbonitrile

Systemtic Name: 5-chloranyl-4-(2-methylphenyl)-2-[(2-octoxy-5-octyl-phenyl)methyl]thiophene-3-carbonitrile Openeye Name: 5-chloro-2-[(2-octoxy-5-octyl-phenyl)methyl]-4-(o-tolyl)thiophene-3-carbonitrile CAS Name: 5-chloro-4-(2-methylphenyl)-2-[(2-octoxy-5-octylphenyl)methyl]-3-thiophenecarbonitrile IUPAC Name: 5-chloro-4-(2-methylphenyl)-2-[(2-octoxy-5-octylphenyl)methyl]thiophene-3-carbonitrile Traditional Name: 5-chloro-2-(2-octoxy-5-octyl-benzyl)-4-(o-tolyl)thiophene-3-carbonitrile Formula: C35H46ClNOS MolecularWeight: 564.26384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OCCCCCCCC)CC2=C(C(=C(S2)Cl)C3=CC=CC=C3C)C#N

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OCCCCCCCC)CC2=C(C(=C(S2)Cl)C3=CC=CC=C3C)C#N

InChI

InChI=1S/C35H46ClNOS/c1-4-6-8-10-12-14-19-28-21-22-32(38-23-17-13-11-9-7-5-2)29(24-28)25-33-31(26-37)34(35(36)39-33)30-20-16-15-18-27(30)3/h15-16,18,20-22,24H,4-14,17,19,23,25H2,1-3H3