(3S)-3-phenyl-4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)butanoate

Systemtic Name: (3S)-3-phenyl-4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)butanoate Openeye Name: (3S)-3-phenyl-4-(5-thioxo-2H-tetrazol-1-yl)butanoate CAS Name: (3S)-3-phenyl-4-(5-sulfanylidene-2H-tetrazol-1-yl)butanoate IUPAC Name: (3S)-3-phenyl-4-(5-sulfanylidene-2H-tetrazol-1-yl)butanoate Traditional Name: (3S)-3-phenyl-4-(5-thioxo-2H-tetrazol-1-yl)butyrate Formula: C11H11N4O2S- MolecularWeight: 263.29564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])CN2C(=S)N=NN2

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)[O-])CN2C(=S)N=NN2

InChI

InChI=1S/C11H12N4O2S/c16-10(17)6-9(8-4-2-1-3-5-8)7-15-11(18)12-13-14-15/h1-5,9H,6-7H2,(H,16,17)(H,12,14,18)/p-1/t9-/m1/s1