3-[1-(3-nitrophenyl)ethylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[1-(3-nitrophenyl)ethylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[1-(3-nitrophenyl)ethylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[1-(3-nitrophenyl)ethylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(3-nitrophenyl)ethylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[1-(3-nitrophenyl)ethylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O3S/c1-3-7-16-12(18)14-15-13(16)21-9(2)10-5-4-6-11(8-10)17(19)20/h4-6,8-9H,3,7H2,1-2H3,(H,14,18)