6-methoxy-N-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine

Systemtic Name: 6-methoxy-N-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: 6-methoxy-N-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: 6-methoxy-N-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-methoxy-N-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C19H15N5O3S2 MolecularWeight: 425.4841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C19H15N5O3S2/c1-11-3-6-13(7-4-11)28-18-16(24(25)26)17(20-10-21-18)23-19-22-14-8-5-12(27-2)9-15(14)29-19/h3-10H,1-2H3,(H,20,21,22,23)