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

Systemtic Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4OS/c1-18-11-6-4-10(5-7-11)12-15-13(17-16-12)19-9-3-2-8-14/h4-7H,2-3,9H2,1H3,(H,15,16,17)