3-ethylsulfanyl-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-ethylsulfanyl-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-ethylsulfanyl-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(ethylthio)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-ethylsulfanyl-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(ethylthio)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O2S/c1-2-23-16-18-17-15(19(16)13-6-4-3-5-7-13)12-8-10-14(11-9-12)20(21)22/h3-11H,2H2,1H3