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

Systemtic Name: [4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3-methyl-phenyl] ester Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C15H15N5O3S/c1-9-6-12(24-8-16)4-5-13(9)17-14(21)7-19-11(3)15(20(22)23)10(2)18-19/h4-6H,7H2,1-3H3,(H,17,21)