6-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C12H13N9S MolecularWeight: 315.35692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NNC(=N3)N

InChI

InChI=1S/C12H13N9S/c13-9-16-8(6-22-12-19-10(14)20-21-12)17-11(18-9)15-7-4-2-1-3-5-7/h1-5H,6H2,(H3,14,19,20,21)(H3,13,15,16,17,18)