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

Systemtic Name: 6-methyl-N-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: 6-methyl-N-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine CAS Name: 6-methyl-N-[5-nitro-6-(phenylthio)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-methyl-N-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: (6-methyl-1,3-benzothiazol-2-yl)-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C18H13N5O2S2 MolecularWeight: 395.45812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

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