4-(3-ethoxypropyl)-3-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-ethoxypropyl)-3-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-ethoxypropyl)-3-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-ethoxypropyl)-3-[4-[(4-nitro-1-pyrazolyl)methyl]phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-ethoxypropyl)-3-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-ethoxypropyl)-3-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]-1H-1,2,4-triazole-5-thione Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=NNC1=S)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCOCCCN1C(=NNC1=S)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O3S/c1-2-26-9-3-8-22-16(19-20-17(22)27)14-6-4-13(5-7-14)11-21-12-15(10-18-21)23(24)25/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,20,27)