4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Formula: C21H19N7O3S MolecularWeight: 449.48566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N7O3S/c1-26-14-23-25-21(26)32-19-8-5-16(13-18(19)28(30)31)20(29)22-11-9-15-3-6-17(7-4-15)27-12-2-10-24-27/h2-8,10,12-14H,9,11H2,1H3,(H,22,29)