5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-(4-nitrophenyl)-1H-1,2,4-triazole CAS Name: 5-(4-nitrophenyl)-3-(prop-2-enylthio)-1H-1,2,4-triazole IUPAC Name: 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole Traditional Name: 3-(allylthio)-5-(4-nitrophenyl)-1H-1,2,4-triazole Formula: C11H10N4O2S MolecularWeight: 262.2877

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NNC(=N1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=NNC(=N1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O2S/c1-2-7-18-11-12-10(13-14-11)8-3-5-9(6-4-8)15(16)17/h2-6H,1,7H2,(H,12,13,14)