5-[[5-[(4-chloranylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[[5-[(4-chloranylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C21H17ClN6OS MolecularWeight: 436.91728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NNC(=N2)COC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NNC(=N2)COC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN6OS/c1-14-18(11-23)19(28(27-14)16-5-3-2-4-6-16)13-30-21-24-20(25-26-21)12-29-17-9-7-15(22)8-10-17/h2-10H,12-13H2,1H3,(H,24,25,26)