[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-3,5-dimethyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C)SC#N

InChI

InChI=1S/C16H17N5O3S/c1-9-5-13(25-8-17)6-10(2)15(9)18-14(22)7-20-12(4)16(21(23)24)11(3)19-20/h5-6H,7H2,1-4H3,(H,18,22)