4-(3-methoxypropyl)-3-methylsulfanyl-5-(3-nitrophenyl)-1,2,4-triazole

Systemtic Name: 4-(3-methoxypropyl)-3-methylsulfanyl-5-(3-nitrophenyl)-1,2,4-triazole Openeye Name: 4-(3-methoxypropyl)-3-methylsulfanyl-5-(3-nitrophenyl)-1,2,4-triazole CAS Name: 4-(3-methoxypropyl)-3-(methylthio)-5-(3-nitrophenyl)-1,2,4-triazole IUPAC Name: 4-(3-methoxypropyl)-3-methylsulfanyl-5-(3-nitrophenyl)-1,2,4-triazole Traditional Name: 4-(3-methoxypropyl)-3-(methylthio)-5-(3-nitrophenyl)-1,2,4-triazole Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SC)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COCCCN1C(=NN=C1SC)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O3S/c1-20-8-4-7-16-12(14-15-13(16)21-2)10-5-3-6-11(9-10)17(18)19/h3,5-6,9H,4,7-8H2,1-2H3