6-(1,3-benzothiazol-2-ylsulfanylmethyl)-N2-(4-ethylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-N2-(4-ethylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-N2-(4-ethylphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-N2-(4-ethylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-N-(4-ethylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(1,3-benzothiazol-2-ylthio)methyl]-s-triazin-2-yl]-(4-ethylphenyl)amine Formula: C19H18N6S2 MolecularWeight: 394.51642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N6S2/c1-2-12-7-9-13(10-8-12)21-18-24-16(23-17(20)25-18)11-26-19-22-14-5-3-4-6-15(14)27-19/h3-10H,2,11H2,1H3,(H3,20,21,23,24,25)