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

Systemtic Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C14H16N4S MolecularWeight: 272.36864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCCC#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCCC#N

InChI

InChI=1S/C14H16N4S/c1-2-11-5-7-12(8-6-11)13-16-14(18-17-13)19-10-4-3-9-15/h5-8H,2-4,10H2,1H3,(H,16,17,18)