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

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=NN=C1SCC2=CC=CC=C2C#N)COC3=CC=CC=C3Cl

Isomeric SMILES

CCC(CC)N1C(=NN=C1SCC2=CC=CC=C2C#N)COC3=CC=CC=C3Cl

InChI

InChI=1S/C22H23ClN4OS/c1-3-18(4-2)27-21(14-28-20-12-8-7-11-19(20)23)25-26-22(27)29-15-17-10-6-5-9-16(17)13-24/h5-12,18H,3-4,14-15H2,1-2H3