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

Systemtic Name: 1-[3-[(4-hydroxyphenyl)sulfanylmethyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]cyclobutane-1-carbonitrile Openeye Name: 1-[3-[(4-hydroxyphenyl)sulfanylmethyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]cyclobutanecarbonitrile CAS Name: 1-[3-[[(4-hydroxyphenyl)thio]methyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-cyclobutanecarbonitrile IUPAC Name: 1-[3-[(4-hydroxyphenyl)sulfanylmethyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]cyclobutane-1-carbonitrile Traditional Name: 1-[3-[[(4-hydroxyphenyl)thio]methyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]cyclobutanecarbonitrile Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C#N)C2=CC(=CC(=C2)CSC3=CC=C(C=C3)O)CN4C=NC=N4

Isomeric SMILES

C1CC(C1)(C#N)C2=CC(=CC(=C2)CSC3=CC=C(C=C3)O)CN4C=NC=N4

InChI

InChI=1S/C21H20N4OS/c22-13-21(6-1-7-21)18-9-16(11-25-15-23-14-24-25)8-17(10-18)12-27-20-4-2-19(26)3-5-20/h2-5,8-10,14-15,26H,1,6-7,11-12H2