1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)thiourea Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4S/c18-17(19)11-3-1-2-9(6-11)15-14(22)16-10-4-5-12-13(7-10)21-8-20-12/h1-7H,8H2,(H2,15,16,22)