3-ethyl-4-[(4-nitrophenyl)methylamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-ethyl-4-[(4-nitrophenyl)methylamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-ethyl-4-[(4-nitrophenyl)methylamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-ethyl-4-[(4-nitrophenyl)methylamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-ethyl-4-[(4-nitrophenyl)methylamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-ethyl-4-[(4-nitrobenzyl)amino]-1H-1,2,4-triazole-5-thione Formula: C11H13N5O2S MolecularWeight: 279.31822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NNC(=S)N1NCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O2S/c1-2-10-13-14-11(19)15(10)12-7-8-3-5-9(6-4-8)16(17)18/h3-6,12H,2,7H2,1H3,(H,14,19)