1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(3-methylphenyl)thiourea

Systemtic Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(3-methylphenyl)thiourea Openeye Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(m-tolyl)thiourea CAS Name: 1-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-(3-methylphenyl)thiourea IUPAC Name: 1-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-3-(3-methylphenyl)thiourea Traditional Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(m-tolyl)thiourea Formula: C16H20N6O3S MolecularWeight: 376.4334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NNC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NNC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N6O3S/c1-10-5-4-6-13(9-10)17-16(26)19-18-14(23)7-8-21-12(3)15(22(24)25)11(2)20-21/h4-6,9H,7-8H2,1-3H3,(H,18,23)(H2,17,19,26)