3-(methoxymethyl)-4-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(methoxymethyl)-4-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(methoxymethyl)-4-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(methoxymethyl)-4-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(methoxymethyl)-4-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(methoxymethyl)-4-(4-nitrobenzyl)-1H-1,2,4-triazole-5-thione Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NNC(=S)N1CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COCC1=NNC(=S)N1CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O3S/c1-18-7-10-12-13-11(19)14(10)6-8-2-4-9(5-3-8)15(16)17/h2-5H,6-7H2,1H3,(H,13,19)