4-(2-methoxyethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 4-(2-methoxyethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-(2-methoxyethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(2-methoxyethyl)-3-[(4-nitrophenyl)methylthio]-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-(2-methoxyethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-benzyl-4-(2-methoxyethyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

COCCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S/c1-26-12-11-22-18(13-15-5-3-2-4-6-15)20-21-19(22)27-14-16-7-9-17(10-8-16)23(24)25/h2-10H,11-14H2,1H3