2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanyl]-N-(3-cyanophenyl)ethanamide

Systemtic Name: 2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanyl]-N-(3-cyanophenyl)ethanamide Openeye Name: N-(3-cyanophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide CAS Name: N-(3-cyanophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide Traditional Name: N-(3-cyanophenyl)-2-[(4,6-diamino-s-triazin-2-yl)thio]acetamide Formula: C12H11N7OS MolecularWeight: 301.32704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N7OS/c13-5-7-2-1-3-8(4-7)16-9(20)6-21-12-18-10(14)17-11(15)19-12/h1-4H,6H2,(H,16,20)(H4,14,15,17,18,19)