1-(3-nitrophenyl)-3-(1,2,4-triazol-4-yl)thiourea

Systemtic Name: 1-(3-nitrophenyl)-3-(1,2,4-triazol-4-yl)thiourea Openeye Name: 1-(3-nitrophenyl)-3-(1,2,4-triazol-4-yl)thiourea CAS Name: 1-(3-nitrophenyl)-3-(1,2,4-triazol-4-yl)thiourea IUPAC Name: 1-(3-nitrophenyl)-3-(1,2,4-triazol-4-yl)thiourea Traditional Name: 1-(3-nitrophenyl)-3-(1,2,4-triazol-4-yl)thiourea Formula: C9H8N6O2S MolecularWeight: 264.26382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NN2C=NN=C2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NN2C=NN=C2

InChI

InChI=1S/C9H8N6O2S/c16-15(17)8-3-1-2-7(4-8)12-9(18)13-14-5-10-11-6-14/h1-6H,(H2,12,13,18)