4-[[(1S)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[(1S)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]thio]methyl]benzonitrile IUPAC Name: 4-[[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[(1S)-1-(4-amino-6-anilino-s-triazin-2-yl)ethyl]thio]methyl]benzonitrile Formula: C19H18N6S MolecularWeight: 362.45142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@@H](C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H18N6S/c1-13(26-12-15-9-7-14(11-20)8-10-15)17-23-18(21)25-19(24-17)22-16-5-3-2-4-6-16/h2-10,13H,12H2,1H3,(H3,21,22,23,24,25)/t13-/m0/s1