N-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine

Systemtic Name: N-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: N-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine CAS Name: N-[5-nitro-6-(phenylthio)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C17H11N5O2S2 MolecularWeight: 381.43154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H11N5O2S2/c23-22(24)14-15(21-17-20-12-8-4-5-9-13(12)26-17)18-10-19-16(14)25-11-6-2-1-3-7-11/h1-10H,(H,18,19,20,21)