benzenecarbonitrile; 4-[(thiophen-3-ylmethylamino)methyl]phenol

Systemtic Name: benzenecarbonitrile; 4-[(thiophen-3-ylmethylamino)methyl]phenol Openeye Name: benzonitrile; 4-[(3-thienylmethylamino)methyl]phenol CAS Name: benzonitrile; 4-[(3-thiophenylmethylamino)methyl]phenol IUPAC Name: benzonitrile; 4-[(thiophen-3-ylmethylamino)methyl]phenol Traditional Name: benzonitrile; 4-[(3-thenylamino)methyl]phenol Formula: C19H18N2OS MolecularWeight: 322.42402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#N.C1=CC(=CC=C1CNCC2=CSC=C2)O

Isomeric SMILES

C1=CC=C(C=C1)C#N.C1=CC(=CC=C1CNCC2=CSC=C2)O

InChI

InChI=1S/C12H13NOS.C7H5N/c14-12-3-1-10(2-4-12)7-13-8-11-5-6-15-9-11;8-6-7-4-2-1-3-5-7/h1-6,9,13-14H,7-8H2;1-5H