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

Systemtic Name: 1-[3-[(4-hydroxyphenyl)sulfanylmethyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carbonitrile Openeye Name: 1-[3-[(4-hydroxyphenyl)sulfanylmethyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropanecarbonitrile CAS Name: 1-[3-[[(4-hydroxyphenyl)thio]methyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-cyclopropanecarbonitrile IUPAC Name: 1-[3-[(4-hydroxyphenyl)sulfanylmethyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carbonitrile Traditional Name: 1-[3-[[(4-hydroxyphenyl)thio]methyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropanecarbonitrile Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C#N)C2=CC(=CC(=C2)CSC3=CC=C(C=C3)O)CN4C=NC=N4

Isomeric SMILES

C1CC1(C#N)C2=CC(=CC(=C2)CSC3=CC=C(C=C3)O)CN4C=NC=N4

InChI

InChI=1S/C20H18N4OS/c21-12-20(5-6-20)17-8-15(10-24-14-22-13-23-24)7-16(9-17)11-26-19-3-1-18(25)2-4-19/h1-4,7-9,13-14,25H,5-6,10-11H2