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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-nitropyrazol-1-yl)propionamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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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)C(C)N4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)N4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O3S/c1-12-3-8-17-18(9-12)29-20(23-17)14-4-6-15(7-5-14)22-19(26)13(2)24-11-16(10-21-24)25(27)28/h3-11,13H,1-2H3,(H,22,26)