2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanenitrile

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanenitrile Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanenitrile CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]propanenitrile IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanenitrile Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]propionitrile Formula: C18H14N4S MolecularWeight: 318.39556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C#N)SC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H14N4S/c1-13(12-19)23-18-20-16(14-8-4-2-5-9-14)17(21-22-18)15-10-6-3-7-11-15/h2-11,13H,1H3