N-(4-cyanophenyl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide

Systemtic Name: N-(4-cyanophenyl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide Openeye Name: N-(4-cyanophenyl)-4-(1-methyltetrazol-5-yl)sulfanyl-butanamide CAS Name: N-(4-cyanophenyl)-4-[(1-methyl-5-tetrazolyl)thio]butanamide IUPAC Name: N-(4-cyanophenyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide Traditional Name: N-(4-cyanophenyl)-4-[(1-methyltetrazol-5-yl)thio]butyramide Formula: C13H14N6OS MolecularWeight: 302.35486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H14N6OS/c1-19-13(16-17-18-19)21-8-2-3-12(20)15-11-6-4-10(9-14)5-7-11/h4-7H,2-3,8H2,1H3,(H,15,20)