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

Systemtic Name: 4-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-3-nitro-benzonitrile CAS Name: 4-[[1-(4-butylphenyl)-5-tetrazolyl]thio]-3-nitrobenzonitrile IUPAC Name: 4-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-3-nitrobenzonitrile Traditional Name: 4-[[1-(4-butylphenyl)tetrazol-5-yl]thio]-3-nitro-benzonitrile Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O2S/c1-2-3-4-13-5-8-15(9-6-13)23-18(20-21-22-23)27-17-10-7-14(12-19)11-16(17)24(25)26/h5-11H,2-4H2,1H3