1-(4-methylphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,3,4-tetrazole

Systemtic Name: 1-(4-methylphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 5-[2-(3-nitrophenoxy)ethylsulfanyl]-1-(p-tolyl)tetrazole CAS Name: 1-(4-methylphenyl)-5-[2-(3-nitrophenoxy)ethylthio]tetrazole IUPAC Name: 1-(4-methylphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]tetrazole Traditional Name: 5-[2-(3-nitrophenoxy)ethylthio]-1-(p-tolyl)tetrazole Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)SCCOC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)SCCOC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O3S/c1-12-5-7-13(8-6-12)20-16(17-18-19-20)25-10-9-24-15-4-2-3-14(11-15)21(22)23/h2-8,11H,9-10H2,1H3