3-[2-(3-chloranyl-4-oxidanyl-phenyl)-4-methyl-6-oxidanyl-3H-inden-1-yl]thiophene-2-carbonitrile

Systemtic Name: 3-[2-(3-chloranyl-4-oxidanyl-phenyl)-4-methyl-6-oxidanyl-3H-inden-1-yl]thiophene-2-carbonitrile Openeye Name: 3-[2-(3-chloro-4-hydroxy-phenyl)-6-hydroxy-4-methyl-3H-inden-1-yl]thiophene-2-carbonitrile CAS Name: 3-[2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-3H-inden-1-yl]-2-thiophenecarbonitrile IUPAC Name: 3-[2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-3H-inden-1-yl]thiophene-2-carbonitrile Traditional Name: 3-[2-(3-chloro-4-hydroxy-phenyl)-6-hydroxy-4-methyl-3H-inden-1-yl]thiophene-2-carbonitrile Formula: C21H14ClNO2S MolecularWeight: 379.85936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(=C(C2=CC(=C1)O)C3=C(SC=C3)C#N)C4=CC(=C(C=C4)O)Cl

Isomeric SMILES

CC1=C2CC(=C(C2=CC(=C1)O)C3=C(SC=C3)C#N)C4=CC(=C(C=C4)O)Cl

InChI

InChI=1S/C21H14ClNO2S/c1-11-6-13(24)8-17-15(11)9-16(12-2-3-19(25)18(22)7-12)21(17)14-4-5-26-20(14)10-23/h2-8,24-25H,9H2,1H3