3-(4-nitrophenyl)-4-phenethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-nitrophenyl)-4-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-nitrophenyl)-4-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-nitrophenyl)-4-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-nitrophenyl)-4-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-nitrophenyl)-4-phenethyl-1H-1,2,4-triazole-5-thione Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NNC2=S)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NNC2=S)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O2S/c21-20(22)14-8-6-13(7-9-14)15-17-18-16(23)19(15)11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,23)