5-(4-methoxyphenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-methoxyphenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-methoxyphenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(4-methoxyphenyl)-3-[1-(3-nitrophenyl)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-methoxyphenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-methoxyphenyl)-3-[1-(3-nitrophenyl)ethylthio]-1H-1,2,4-triazole Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H16N4O3S/c1-11(13-4-3-5-14(10-13)21(22)23)25-17-18-16(19-20-17)12-6-8-15(24-2)9-7-12/h3-11H,1-2H3,(H,18,19,20)