1-(2-methoxy-4-nitro-phenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=NN2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=NN2

InChI

InChI=1S/C12H13N5O3S/c1-20-11-6-9(17(18)19)2-3-10(11)15-12(21)13-7-8-4-5-14-16-8/h2-6H,7H2,1H3,(H,14,16)(H2,13,15,21)