3-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-5-(4-propoxyphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-5-(4-propoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-5-(4-propoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(3-nitro-4-propoxyphenyl)methylthio]-5-(4-propoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(3-nitro-4-propoxyphenyl)methylsulfanyl]-5-(4-propoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(3-nitro-4-propoxy-benzyl)thio]-5-(4-propoxyphenyl)-1H-1,2,4-triazole Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)OCCC)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)OCCC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-3-11-28-17-8-6-16(7-9-17)20-22-21(24-23-20)30-14-15-5-10-19(29-12-4-2)18(13-15)25(26)27/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,23,24)