4-[10-(4-hydroxyphenyl)sulfanyldecyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[10-(4-hydroxyphenyl)sulfanyldecyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[10-(4-hydroxyphenyl)sulfanyldecyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[10-[(4-hydroxyphenyl)thio]decyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[10-(4-hydroxyphenyl)sulfanyldecyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[10-[(4-hydroxyphenyl)thio]decyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CCCCCCCCCCSC2=CC=C(C=C2)O)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CCCCCCCCCCSC2=CC=C(C=C2)O)N3C=NN=C3

InChI

InChI=1S/C25H31N5OS/c26-19-22-9-11-23(12-10-22)30(29-20-27-28-21-29)17-7-5-3-1-2-4-6-8-18-32-25-15-13-24(31)14-16-25/h9-16,20-21,31H,1-8,17-18H2