4-[[5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)C#N)COC4=CC=CC=C4Cl

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)C#N)COC4=CC=CC=C4Cl

InChI

InChI=1S/C20H17ClN4OS/c21-17-3-1-2-4-18(17)26-12-19-23-24-20(25(19)16-9-10-16)27-13-15-7-5-14(11-22)6-8-15/h1-8,16H,9-10,12-13H2