4-[5-(4-hydroxyphenyl)sulfanylpentyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[5-(4-hydroxyphenyl)sulfanylpentyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[5-(4-hydroxyphenyl)sulfanylpentyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[5-[(4-hydroxyphenyl)thio]pentyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[5-(4-hydroxyphenyl)sulfanylpentyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[5-[(4-hydroxyphenyl)thio]pentyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CCCCCSC2=CC=C(C=C2)O)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CCCCCSC2=CC=C(C=C2)O)N3C=NN=C3

InChI

InChI=1S/C20H21N5OS/c21-14-17-4-6-18(7-5-17)25(24-15-22-23-16-24)12-2-1-3-13-27-20-10-8-19(26)9-11-20/h4-11,15-16,26H,1-3,12-13H2