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

Systemtic Name: 4-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[1-(4-butylphenyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 4-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[1-(4-butylphenyl)tetrazol-5-yl]thio]methyl]benzonitrile Formula: C19H19N5S MolecularWeight: 349.45266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H19N5S/c1-2-3-4-15-9-11-18(12-10-15)24-19(21-22-23-24)25-14-17-7-5-16(13-20)6-8-17/h5-12H,2-4,14H2,1H3