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

Systemtic Name: N2-phenyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-phenyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-phenyl-6-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-phenyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C18H16N8S MolecularWeight: 376.43824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C18H16N8S/c19-16-21-14(22-17(24-16)20-13-9-5-2-6-10-13)11-27-18-23-15(25-26-18)12-7-3-1-4-8-12/h1-10H,11H2,(H,23,25,26)(H3,19,20,21,22,24)