4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole

Systemtic Name: 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-[(4-nitrophenyl)methylthio]-5-(phenoxymethyl)-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-[(4-nitrobenzyl)thio]-5-(phenoxymethyl)-1,2,4-triazole Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c26-25(27)17-10-8-16(9-11-17)15-30-21-23-22-20(14-29-18-5-2-1-3-6-18)24(21)13-19-7-4-12-28-19/h1-12H,13-15H2