1-(2-methoxy-4-nitro-phenyl)-3-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-(4-pyridylmethyl)thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-(4-pyridylmethyl)thiourea Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=NC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=NC=C2

InChI

InChI=1S/C14H14N4O3S/c1-21-13-8-11(18(19)20)2-3-12(13)17-14(22)16-9-10-4-6-15-7-5-10/h2-8H,9H2,1H3,(H2,16,17,22)