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

Systemtic Name: 2-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]benzonitrile CAS Name: 2-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylthio]methyl]benzonitrile IUPAC Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-amino-6-(p-toluidino)-s-triazin-2-yl]methylthio]methyl]benzonitrile Formula: C19H18N6S MolecularWeight: 362.45142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H18N6S/c1-13-6-8-16(9-7-13)22-19-24-17(23-18(21)25-19)12-26-11-15-5-3-2-4-14(15)10-20/h2-9H,11-12H2,1H3,(H3,21,22,23,24,25)