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

Systemtic Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]propanenitrile IUPAC Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]propionitrile Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SC(C)C#N)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SC(C)C#N)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H18N4S/c1-13-4-8-16(9-5-13)18-19(17-10-6-14(2)7-11-17)23-24-20(22-18)25-15(3)12-21/h4-11,15H,1-3H3