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

Systemtic Name: 4-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C13H13ClN4OS MolecularWeight: 308.78652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCCC#N

InChI

InChI=1S/C13H13ClN4OS/c1-19-11-5-4-9(14)8-10(11)12-16-13(18-17-12)20-7-3-2-6-15/h4-5,8H,2-3,7H2,1H3,(H,16,17,18)