4-cyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-olate

Systemtic Name: 4-cyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-olate Openeye Name: 4-cyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-olate CAS Name: 4-cyclopropyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-olate IUPAC Name: 4-cyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-olate Traditional Name: 4-cyclopropyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-olate Formula: C12H11N4O3S- MolecularWeight: 291.30574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H12N4O3S/c17-11-13-14-12(15(11)9-5-6-9)20-7-8-1-3-10(4-2-8)16(18)19/h1-4,9H,5-7H2,(H,13,17)/p-1