4-(4-methylphenyl)-2-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methoxy]-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methoxy]-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methoxy]-4-(p-tolyl)-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 4-(4-methylphenyl)-2-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]methoxy]-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-2-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methoxy]-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]methoxy]-4-(p-tolyl)-6-(2-thienyl)nicotinonitrile Formula: C21H17N5OS2 MolecularWeight: 419.52258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)OCC3=NC(=NN3)SC)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)OCC3=NC(=NN3)SC)C4=CC=CS4

InChI

InChI=1S/C21H17N5OS2/c1-13-5-7-14(8-6-13)15-10-17(18-4-3-9-29-18)23-20(16(15)11-22)27-12-19-24-21(28-2)26-25-19/h3-10H,12H2,1-2H3,(H,24,25,26)