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

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)C3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)C3=CC=NC=C3

InChI

InChI=1S/C18H17N5OS/c1-24-16-6-4-15(5-7-16)23-17(14-8-11-20-12-9-14)21-22-18(23)25-13-3-2-10-19/h4-9,11-12H,2-3,13H2,1H3