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

Systemtic Name: N-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C18H13N5O2S2 MolecularWeight: 395.45812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H13N5O2S2/c1-11-6-8-12(9-7-11)26-17-15(23(24)25)16(19-10-20-17)22-18-21-13-4-2-3-5-14(13)27-18/h2-10H,1H3,(H,19,20,21,22)