1-[1-(methoxymethyl)pyrazol-4-yl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[1-(methoxymethyl)pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[1-(methoxymethyl)pyrazol-4-yl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[1-(methoxymethyl)-4-pyrazolyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[1-(methoxymethyl)pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[1-(methoxymethyl)pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

COCN1C=C(C=N1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COCN1C=C(C=N1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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