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

Systemtic Name: 4-(furan-2-ylmethyl)-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(p-tolyl)-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-[(4-nitrobenzyl)thio]-5-(p-tolyl)-1,2,4-triazole Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S/c1-15-4-8-17(9-5-15)20-22-23-21(24(20)13-19-3-2-12-28-19)29-14-16-6-10-18(11-7-16)25(26)27/h2-12H,13-14H2,1H3