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

Systemtic Name: 3-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[1-(4-butylphenyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 3-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[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=CC(=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5S/c1-2-3-5-15-8-10-18(11-9-15)24-19(21-22-23-24)25-14-17-7-4-6-16(12-17)13-20/h4,6-12H,2-3,5,14H2,1H3