2-(3-methylsulfanyl-6-phenyl-2,5-dihydro-1,2,4-triazin-5-yl)-2-phenyl-ethanenitrile

Systemtic Name: 2-(3-methylsulfanyl-6-phenyl-2,5-dihydro-1,2,4-triazin-5-yl)-2-phenyl-ethanenitrile Openeye Name: 2-(3-methylsulfanyl-6-phenyl-2,5-dihydro-1,2,4-triazin-5-yl)-2-phenyl-acetonitrile CAS Name: 2-[3-(methylthio)-6-phenyl-2,5-dihydro-1,2,4-triazin-5-yl]-2-phenylacetonitrile IUPAC Name: 2-(3-methylsulfanyl-6-phenyl-2,5-dihydro-1,2,4-triazin-5-yl)-2-phenylacetonitrile Traditional Name: 2-[3-(methylthio)-6-phenyl-2,5-dihydro-1,2,4-triazin-5-yl]-2-phenyl-acetonitrile Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(C(=NN1)C2=CC=CC=C2)C(C#N)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(C(=NN1)C2=CC=CC=C2)C(C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H16N4S/c1-23-18-20-17(15(12-19)13-8-4-2-5-9-13)16(21-22-18)14-10-6-3-7-11-14/h2-11,15,17H,1H3,(H,20,22)