6-(1H-benzimidazol-2-ylsulfanylmethyl)-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-N2-(p-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(1H-benzimidazol-2-ylthio)methyl]-s-triazin-2-yl]-(p-tolyl)amine Formula: C18H17N7S MolecularWeight: 363.43948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H17N7S/c1-11-6-8-12(9-7-11)20-17-24-15(23-16(19)25-17)10-26-18-21-13-4-2-3-5-14(13)22-18/h2-9H,10H2,1H3,(H,21,22)(H3,19,20,23,24,25)