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

Systemtic Name: 4-(4-ethoxyphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-(4-ethoxyphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(4-nitrobenzyl)thio]-4-p-phenetyl-5-(2-thienyl)-1,2,4-triazole Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C21H18N4O3S2/c1-2-28-18-11-9-16(10-12-18)24-20(19-4-3-13-29-19)22-23-21(24)30-14-15-5-7-17(8-6-15)25(26)27/h3-13H,2,14H2,1H3