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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N6S2/c20-17-23-16(12-26-19-22-14-8-4-5-9-15(14)27-19)24-18(25-17)21-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H3,20,21,23,24,25)