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

Systemtic Name: 4-(3-methoxypropyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-(3-methoxypropyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(3-methoxypropyl)-3-[(4-nitrophenyl)methylthio]-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-(3-methoxypropyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-benzyl-4-(3-methoxypropyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-27-13-5-12-23-19(14-16-6-3-2-4-7-16)21-22-20(23)28-15-17-8-10-18(11-9-17)24(25)26/h2-4,6-11H,5,12-15H2,1H3