N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-4-nitro-benzamide Openeye Name: N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-4-nitro-benzamide CAS Name: N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-4-nitrobenzamide Traditional Name: N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]-4-nitro-benzamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c1-11-17(12(2)21-20-11)26-16-6-4-3-5-15(16)19-18(23)13-7-9-14(10-8-13)22(24)25/h3-10H,1-2H3,(H,19,23)(H,20,21)