6-(1,3-benzoxazol-2-ylsulfanylmethyl)-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(1,3-benzoxazol-2-ylthio)methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(1,3-benzoxazol-2-ylthio)methyl]-s-triazin-2-yl]-(4-methoxyphenyl)amine Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H16N6O2S/c1-25-12-8-6-11(7-9-12)20-17-23-15(22-16(19)24-17)10-27-18-21-13-4-2-3-5-14(13)26-18/h2-9H,10H2,1H3,(H3,19,20,22,23,24)