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

Systemtic Name: 5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1-phenyl-tetrazole CAS Name: 5-[(4-methoxy-3-nitrophenyl)methylthio]-1-phenyltetrazole IUPAC Name: 5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1-phenyltetrazole Traditional Name: 5-[(4-methoxy-3-nitro-benzyl)thio]-1-phenyl-tetrazole Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O3S/c1-23-14-8-7-11(9-13(14)20(21)22)10-24-15-16-17-18-19(15)12-5-3-2-4-6-12/h2-9H,10H2,1H3