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

Systemtic Name: 4-[3-(4-phenylmethoxyphenyl)sulfanylpropyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[3-(4-benzyloxyphenyl)sulfanylpropyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[3-[(4-phenylmethoxyphenyl)thio]propyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[3-(4-phenylmethoxyphenyl)sulfanylpropyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[3-[(4-benzoxyphenyl)thio]propyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)SCCCN(C3=CC=C(C=C3)C#N)N4C=NN=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)SCCCN(C3=CC=C(C=C3)C#N)N4C=NN=C4

InChI

InChI=1S/C25H23N5OS/c26-17-21-7-9-23(10-8-21)30(29-19-27-28-20-29)15-4-16-32-25-13-11-24(12-14-25)31-18-22-5-2-1-3-6-22/h1-3,5-14,19-20H,4,15-16,18H2