2-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-5-nitro-benzonitrile CAS Name: 2-[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-5-nitrobenzonitrile Traditional Name: 5-nitro-2-[(1-o-phenetyltetrazol-5-yl)thio]benzonitrile Formula: C16H12N6O3S MolecularWeight: 368.36988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H12N6O3S/c1-2-25-14-6-4-3-5-13(14)21-16(18-19-20-21)26-15-8-7-12(22(23)24)9-11(15)10-17/h3-9H,2H2,1H3