3-cyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-cyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-cyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-cyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-cyclopropyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3CC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C15H16N4O2S/c1-2-9-18-14(12-5-6-12)16-17-15(18)22-10-11-3-7-13(8-4-11)19(20)21/h2-4,7-8,12H,1,5-6,9-10H2