3-[[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]benzonitrile CAS Name: 3-[[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methylthio]methyl]benzonitrile IUPAC Name: 3-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methylthio]methyl]benzonitrile Formula: C20H20N6S MolecularWeight: 376.478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCC3=CC=CC(=C3)C#N

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20N6S/c1-2-16-8-3-4-9-17(16)23-20-25-18(24-19(22)26-20)13-27-12-15-7-5-6-14(10-15)11-21/h3-10H,2,12-13H2,1H3,(H3,22,23,24,25,26)