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

Systemtic Name: 4-(4-methylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-(p-tolyl)-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-(4-methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-(4-methylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-nitrobenzyl)thio]-4-(p-tolyl)-5-(2-thenyl)-1,2,4-triazole Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C21H18N4O2S2/c1-15-4-8-17(9-5-15)24-20(13-19-3-2-12-28-19)22-23-21(24)29-14-16-6-10-18(11-7-16)25(26)27/h2-12H,13-14H2,1H3