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

Systemtic Name: 4-[3-(4-hydroxyphenyl)sulfanylpropyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[3-(4-hydroxyphenyl)sulfanylpropyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[3-[(4-hydroxyphenyl)thio]propyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[3-(4-hydroxyphenyl)sulfanylpropyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[3-[(4-hydroxyphenyl)thio]propyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CCCSC2=CC=C(C=C2)O)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CCCSC2=CC=C(C=C2)O)N3C=NN=C3

InChI

InChI=1S/C18H17N5OS/c19-12-15-2-4-16(5-3-15)23(22-13-20-21-14-22)10-1-11-25-18-8-6-17(24)7-9-18/h2-9,13-14,24H,1,10-11H2