1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[1-(1,3-dimethyl-4-pyrazolyl)ethyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(C)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=NN(C=C1C(C)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C

InChI

InChI=1S/C15H19N5O3S/c1-9(12-8-19(3)18-10(12)2)16-15(24)17-13-6-5-11(20(21)22)7-14(13)23-4/h5-9H,1-4H3,(H2,16,17,24)