3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propionamide Formula: C20H16BrN5O3S MolecularWeight: 486.34174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCN4C=C(C(=N4)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCN4C=C(C(=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C20H16BrN5O3S/c1-12-2-7-16-17(10-12)30-20(23-16)13-3-5-14(6-4-13)22-18(27)8-9-25-11-15(21)19(24-25)26(28)29/h2-7,10-11H,8-9H2,1H3,(H,22,27)