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

Systemtic Name: 3-[(4-azanyl-1,3,5-triazin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-amino-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(4-amino-1,3,5-triazin-2-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-amino-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-amino-s-triazin-2-yl)thio]methyl]benzonitrile Formula: C11H9N5S MolecularWeight: 243.28766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=NC(=N2)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=NC(=N2)N)C#N

InChI

InChI=1S/C11H9N5S/c12-5-8-2-1-3-9(4-8)6-17-11-15-7-14-10(13)16-11/h1-4,7H,6H2,(H2,13,14,15,16)