3-[(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[[5-oxo-4-(2-thienyl)tetrazol-1-yl]methyl]benzonitrile CAS Name: 3-[(5-oxo-4-thiophen-2-yl-1-tetrazolyl)methyl]benzonitrile IUPAC Name: 3-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]benzonitrile Traditional Name: 3-[[5-keto-4-(2-thienyl)tetrazol-1-yl]methyl]benzonitrile Formula: C13H9N5OS MolecularWeight: 283.30846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(=O)N(N=N2)C3=CC=CS3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C(=O)N(N=N2)C3=CC=CS3)C#N

InChI

InChI=1S/C13H9N5OS/c14-8-10-3-1-4-11(7-10)9-17-13(19)18(16-15-17)12-5-2-6-20-12/h1-7H,9H2