2-[(1-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-4-(phenylcarbonyl)pentanedinitrile

Systemtic Name: 2-[(1-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-4-(phenylcarbonyl)pentanedinitrile Openeye Name: 2-benzoyl-4-(1-butyltetrazol-5-yl)sulfanyl-pentanedinitrile CAS Name: 2-benzoyl-4-[(1-butyl-5-tetrazolyl)thio]pentanedinitrile IUPAC Name: 2-benzoyl-4-(1-butyltetrazol-5-yl)sulfanylpentanedinitrile Traditional Name: 2-benzoyl-4-[(1-butyltetrazol-5-yl)thio]glutaronitrile Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)SC(CC(C#N)C(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CCCCN1C(=NN=N1)SC(CC(C#N)C(=O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C17H18N6OS/c1-2-3-9-23-17(20-21-22-23)25-15(12-19)10-14(11-18)16(24)13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-10H2,1H3