5-(1,3-benzodioxol-5-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine Openeye Name: 5-(1,3-benzodioxol-5-yl)-N-methyl-N-[(2-phenylthiazol-4-yl)methyl]-1,2,4-triazin-3-amine CAS Name: 5-(1,3-benzodioxol-5-yl)-N-methyl-N-[(2-phenyl-4-thiazolyl)methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine Traditional Name: [5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]-methyl-[(2-phenylthiazol-4-yl)methyl]amine Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC(=N1)C2=CC=CC=C2)C3=NC(=CN=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(CC1=CSC(=N1)C2=CC=CC=C2)C3=NC(=CN=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N5O2S/c1-26(11-16-12-29-20(23-16)14-5-3-2-4-6-14)21-24-17(10-22-25-21)15-7-8-18-19(9-15)28-13-27-18/h2-10,12H,11,13H2,1H3