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

Systemtic Name: N-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine CAS Name: N-[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]-4-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(4-methyl-1,3-benzothiazol-2-yl)amine Formula: C18H12N8O2S MolecularWeight: 404.40528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C18H12N8O2S/c1-10-5-4-8-13-14(10)21-18(29-13)22-16-15(26(27)28)17(20-9-19-16)25-12-7-3-2-6-11(12)23-24-25/h2-9H,1H3,(H,19,20,21,22)