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

Systemtic Name: 4-[[5-[(2-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C19H17ClN4OS MolecularWeight: 384.88248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)COC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)COC3=CC=CC=C3Cl

InChI

InChI=1S/C19H17ClN4OS/c20-16-10-4-5-11-17(16)25-14-18-22-23-19(26-13-7-6-12-21)24(18)15-8-2-1-3-9-15/h1-5,8-11H,6-7,13-14H2