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

Systemtic Name: 4-[2-(3-hydroxyphenyl)sulfanylethyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[2-(3-hydroxyphenyl)sulfanylethyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[2-[(3-hydroxyphenyl)thio]ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[2-(3-hydroxyphenyl)sulfanylethyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[2-[(3-hydroxyphenyl)thio]ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C17H15N5OS MolecularWeight: 337.3989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5OS/c18-11-14-4-6-15(7-5-14)22(21-12-19-20-13-21)8-9-24-17-3-1-2-16(23)10-17/h1-7,10,12-13,23H,8-9H2