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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C#N)SC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H15ClN4OS/c1-12(11-20)25-18-22-21-17(13-6-4-3-5-7-13)23(18)14-8-9-16(24-2)15(19)10-14/h3-10,12H,1-2H3