2-[[5-[(4-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C17H13ClN4OS MolecularWeight: 356.82932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC#N)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC#N)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN4OS/c18-13-6-8-15(9-7-13)23-12-16-20-21-17(24-11-10-19)22(16)14-4-2-1-3-5-14/h1-9H,11-12H2