6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CN1C(=NN=N1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C12H13N9S/c1-21-12(18-19-20-21)22-7-9-15-10(13)17-11(16-9)14-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,13,14,15,16,17)