N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-4,6-dimethyl-pyrimidin-2-amine

Systemtic Name: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-4,6-dimethyl-pyrimidin-2-amine Openeye Name: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-4,6-dimethyl-pyrimidin-2-amine CAS Name: N-[5-[(1,3-benzothiazol-2-ylthio)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethyl-2-pyrimidinamine IUPAC Name: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine Traditional Name: [5-[(1,3-benzothiazol-2-ylthio)methyl]-1H-1,2,4-triazol-3-yl]-(4,6-dimethylpyrimidin-2-yl)amine Formula: C16H15N7S2 MolecularWeight: 369.4672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=NNC(=N2)CSC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=NNC(=N2)CSC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C16H15N7S2/c1-9-7-10(2)18-14(17-9)21-15-20-13(22-23-15)8-24-16-19-11-5-3-4-6-12(11)25-16/h3-7H,8H2,1-2H3,(H2,17,18,20,21,22,23)