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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS/c1-2-19(27-20-9-7-18(26)8-10-20)11-12-25(24-14-22-23-15-24)17-5-3-16(13-21)4-6-17/h3-10,14-15,19,26H,2,11-12H2,1H3