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

Systemtic Name: 4-(3-methoxypropyl)-3-(3-nitrophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(3-methoxypropyl)-3-(3-nitrophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(3-methoxypropyl)-3-(3-nitrophenyl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(3-methoxypropyl)-3-(3-nitrophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(3-methoxypropyl)-3-[(3-nitrobenzyl)thio]-5-(3-nitrophenyl)-1,2,4-triazole Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCCCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S/c1-29-10-4-9-22-18(15-6-3-8-17(12-15)24(27)28)20-21-19(22)30-13-14-5-2-7-16(11-14)23(25)26/h2-3,5-8,11-12H,4,9-10,13H2,1H3