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

Systemtic Name: 4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4,6-diamino-1,3,5-triazin-2-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4,6-diamino-s-triazin-2-yl)thio]methyl]benzonitrile Formula: C11H10N6S MolecularWeight: 258.3023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=NC(=N2)N)N)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=NC(=N2)N)N)C#N

InChI

InChI=1S/C11H10N6S/c12-5-7-1-3-8(4-2-7)6-18-11-16-9(13)15-10(14)17-11/h1-4H,6H2,(H4,13,14,15,16,17)