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

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

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCC#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C18H14N4S/c19-12-7-13-23-18-20-16(14-8-3-1-4-9-14)17(21-22-18)15-10-5-2-6-11-15/h1-6,8-11H,7,13H2