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

Systemtic Name: 4-cyclopropyl-3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[(3-nitrophenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[(3-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)9-4-5-9)20-7-8-2-1-3-10(6-8)16(18)19/h1-3,6,9H,4-5,7H2,(H,13,17)