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

Systemtic Name: 4-cyclopropyl-3-[(2-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[(2-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[(2-nitrophenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[(2-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[(2-nitrobenzyl)thio]-1H-1,2,4-triazol-5-one Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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