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

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-nitrobenzyl)thio]-5-(2-thienyl)-1,2,4-triazole Formula: C16H14N4O2S2 MolecularWeight: 358.43796

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C16H14N4O2S2/c1-2-9-19-15(14-4-3-10-23-14)17-18-16(19)24-11-12-5-7-13(8-6-12)20(21)22/h2-8,10H,1,9,11H2