2-[3-[(4-hydroxyphenyl)sulfanylmethyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[3-[(4-hydroxyphenyl)sulfanylmethyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile Openeye Name: 2-[3-[(4-hydroxyphenyl)sulfanylmethyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile CAS Name: 2-[3-[[(4-hydroxyphenyl)thio]methyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-[(4-hydroxyphenyl)sulfanylmethyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile Traditional Name: 2-[3-[[(4-hydroxyphenyl)thio]methyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propionitrile Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1)CSC2=CC=C(C=C2)O)CN3C=NC=N3

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC(=C1)CSC2=CC=C(C=C2)O)CN3C=NC=N3

InChI

InChI=1S/C20H20N4OS/c1-20(2,12-21)17-8-15(10-24-14-22-13-23-24)7-16(9-17)11-26-19-5-3-18(25)4-6-19/h3-9,13-14,25H,10-11H2,1-2H3