4-nitro-N-[2-(1,3,5-trimethylpyrazol-4-yl)sulfanylphenyl]benzamide

Systemtic Name: 4-nitro-N-[2-(1,3,5-trimethylpyrazol-4-yl)sulfanylphenyl]benzamide Openeye Name: 4-nitro-N-[2-(1,3,5-trimethylpyrazol-4-yl)sulfanylphenyl]benzamide CAS Name: 4-nitro-N-[2-[(1,3,5-trimethyl-4-pyrazolyl)thio]phenyl]benzamide IUPAC Name: 4-nitro-N-[2-(1,3,5-trimethylpyrazol-4-yl)sulfanylphenyl]benzamide Traditional Name: 4-nitro-N-[2-[(1,3,5-trimethylpyrazol-4-yl)thio]phenyl]benzamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c1-12-18(13(2)22(3)21-12)27-17-7-5-4-6-16(17)20-19(24)14-8-10-15(11-9-14)23(25)26/h4-11H,1-3H3,(H,20,24)