4-azanyl-3-[1-(4-nitrophenyl)heptan-2-yl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-azanyl-3-[1-(4-nitrophenyl)heptan-2-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-amino-3-[1-[(4-nitrophenyl)methyl]hexyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-amino-3-[1-(4-nitrophenyl)heptan-2-yl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-amino-3-[1-(4-nitrophenyl)heptan-2-yl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-amino-3-[1-(4-nitrobenzyl)hexyl]-1H-1,2,4-triazole-5-thione Formula: C15H21N5O2S MolecularWeight: 335.42454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC1=CC=C(C=C1)[N+](=O)[O-])C2=NNC(=S)N2N

Isomeric SMILES

CCCCCC(CC1=CC=C(C=C1)[N+](=O)[O-])C2=NNC(=S)N2N

InChI

InChI=1S/C15H21N5O2S/c1-2-3-4-5-12(14-17-18-15(23)19(14)16)10-11-6-8-13(9-7-11)20(21)22/h6-9,12H,2-5,10,16H2,1H3,(H,18,23)