N-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-[4-(5-bromo-3-methyl-2-pyridyl)butyl]-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[4-(5-bromo-3-methyl-2-pyridinyl)butyl]-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-[4-(5-bromo-3-methylpyridin-2-yl)butyl]-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: 4-(5-bromo-3-methyl-2-pyridyl)butyl-(1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)amine Formula: C17H17BrN4O4S MolecularWeight: 453.31028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1CCCCNC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=CN=C1CCCCNC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H17BrN4O4S/c1-11-8-12(18)10-20-15(11)4-2-3-7-19-17-14-6-5-13(22(23)24)9-16(14)27(25,26)21-17/h5-6,8-10H,2-4,7H2,1H3,(H,19,21)