3-(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)propanal

Systemtic Name: 3-(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)propanal Openeye Name: 3-(4-phenyl-5-thioxo-tetrazol-1-yl)propanal CAS Name: 3-(4-phenyl-5-sulfanylidene-1-tetrazolyl)propanal IUPAC Name: 3-(4-phenyl-5-sulfanylidenetetrazol-1-yl)propanal Traditional Name: 3-(4-phenyl-5-thioxo-tetrazol-1-yl)propionaldehyde Formula: C10H10N4OS MolecularWeight: 234.2776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=S)N(N=N2)CCC=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=S)N(N=N2)CCC=O

InChI

InChI=1S/C10H10N4OS/c15-8-4-7-13-10(16)14(12-11-13)9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2