4-[(4-hydroxyphenyl)methyl-(thiophen-3-ylmethyl)amino]benzenecarbonitrile

Systemtic Name: 4-[(4-hydroxyphenyl)methyl-(thiophen-3-ylmethyl)amino]benzenecarbonitrile Openeye Name: 4-[(4-hydroxyphenyl)methyl-(3-thienylmethyl)amino]benzonitrile CAS Name: 4-[(4-hydroxyphenyl)methyl-(3-thiophenylmethyl)amino]benzonitrile IUPAC Name: 4-[(4-hydroxyphenyl)methyl-(thiophen-3-ylmethyl)amino]benzonitrile Traditional Name: 4-[(4-hydroxybenzyl)-(3-thenyl)amino]benzonitrile Formula: C19H16N2OS MolecularWeight: 320.40814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CC2=CSC=C2)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1=CC(=CC=C1CN(CC2=CSC=C2)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C19H16N2OS/c20-11-15-1-5-18(6-2-15)21(13-17-9-10-23-14-17)12-16-3-7-19(22)8-4-16/h1-10,14,22H,12-13H2