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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

InChI

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