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

Systemtic Name: 3-[[5-[(2-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C18H15ClN4OS MolecularWeight: 370.8559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCC#N)COC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCC#N)COC3=CC=CC=C3Cl

InChI

InChI=1S/C18H15ClN4OS/c19-15-9-4-5-10-16(15)24-13-17-21-22-18(25-12-6-11-20)23(17)14-7-2-1-3-8-14/h1-5,7-10H,6,12-13H2