N2-phenyl-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-phenyl-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine Openeye Name: N2-phenyl-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-phenyl-6-[(1H-1,2,4-triazol-5-ylthio)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-phenyl-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(1H-1,2,4-triazol-5-ylthio)methyl]-s-triazin-2-yl]-phenyl-amine Formula: C12H12N8S MolecularWeight: 300.34228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=NN3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=NN3

InChI

InChI=1S/C12H12N8S/c13-10-17-9(6-21-12-14-7-15-20-12)18-11(19-10)16-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15,20)(H3,13,16,17,18,19)