N-(1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O3S/c1-12-10-17(24(26)27)22-23(12)11-13-6-8-14(9-7-13)18(25)21-19-20-15-4-2-3-5-16(15)28-19/h2-10H,11H2,1H3,(H,20,21,25)