N2-(2-ethylphenyl)-6-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(2-ethylphenyl)-6-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2-ethylphenyl)-6-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-ethylphenyl)-6-[[(1-methyl-2-benzimidazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-ethylphenyl)-6-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(1-methylbenzimidazol-2-yl)thio]methyl]-s-triazin-2-yl]-(2-ethylphenyl)amine Formula: C20H21N7S MolecularWeight: 391.49264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C20H21N7S/c1-3-13-8-4-5-9-14(13)22-19-25-17(24-18(21)26-19)12-28-20-23-15-10-6-7-11-16(15)27(20)2/h4-11H,3,12H2,1-2H3,(H3,21,22,24,25,26)