4-[4-(4-hydroxyphenyl)sulfanylbutyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[4-(4-hydroxyphenyl)sulfanylbutyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[4-(4-hydroxyphenyl)sulfanylbutyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[4-[(4-hydroxyphenyl)thio]butyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[4-(4-hydroxyphenyl)sulfanylbutyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[4-[(4-hydroxyphenyl)thio]butyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C19H19N5OS MolecularWeight: 365.45206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CCCCSC2=CC=C(C=C2)O)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CCCCSC2=CC=C(C=C2)O)N3C=NN=C3

InChI

InChI=1S/C19H19N5OS/c20-13-16-3-5-17(6-4-16)24(23-14-21-22-15-23)11-1-2-12-26-19-9-7-18(25)8-10-19/h3-10,14-15,25H,1-2,11-12H2