4-[3-(4-hydroxyphenyl)sulfanyldecyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[3-(4-hydroxyphenyl)sulfanyldecyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[3-(4-hydroxyphenyl)sulfanyldecyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[3-[(4-hydroxyphenyl)thio]decyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[3-(4-hydroxyphenyl)sulfanyldecyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[3-[(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:

CCCCCCCC(CCN(C1=CC=C(C=C1)C#N)N2C=NN=C2)SC3=CC=C(C=C3)O

Isomeric SMILES

CCCCCCCC(CCN(C1=CC=C(C=C1)C#N)N2C=NN=C2)SC3=CC=C(C=C3)O

InChI

InChI=1S/C25H31N5OS/c1-2-3-4-5-6-7-24(32-25-14-12-23(31)13-15-25)16-17-30(29-19-27-28-20-29)22-10-8-21(18-26)9-11-22/h8-15,19-20,24,31H,2-7,16-17H2,1H3