1-(4-chlorophenyl)-1-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-(4-chlorophenyl)-1-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea Openeye Name: 1-(4-chlorophenyl)-1-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-(4-chlorophenyl)-1-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(4-chlorophenyl)-1-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-(4-chlorophenyl)-1-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea Formula: C13H13ClN6O3S MolecularWeight: 368.79872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(C(=S)N)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1N(C(=S)N)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H13ClN6O3S/c14-9-1-3-10(4-2-9)19(13(15)24)17-12(21)5-6-18-8-11(7-16-18)20(22)23/h1-4,7-8H,5-6H2,(H2,15,24)(H,17,21)