1-(2-methoxy-5-methyl-phenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,3,4-tetrazole

Systemtic Name: 1-(2-methoxy-5-methyl-phenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-(2-methoxy-5-methyl-phenyl)-5-[(3-nitrophenyl)methylsulfanyl]tetrazole CAS Name: 1-(2-methoxy-5-methylphenyl)-5-[(3-nitrophenyl)methylthio]tetrazole IUPAC Name: 1-(2-methoxy-5-methylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]tetrazole Traditional Name: 1-(2-methoxy-5-methyl-phenyl)-5-[(3-nitrobenzyl)thio]tetrazole Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O3S/c1-11-6-7-15(24-2)14(8-11)20-16(17-18-19-20)25-10-12-4-3-5-13(9-12)21(22)23/h3-9H,10H2,1-2H3