3-(2-azanylethylamino)-N-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]propanamide

Systemtic Name: 3-(2-azanylethylamino)-N-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]propanamide Openeye Name: 3-(2-aminoethylamino)-N-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]propanamide CAS Name: 3-(2-aminoethylamino)-N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]propanamide IUPAC Name: 3-(2-aminoethylamino)-N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]propanamide Traditional Name: 3-(2-aminoethylamino)-N-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]propionamide Formula: C12H17N7OS MolecularWeight: 307.37468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCNCCN)N2C(=S)N=NN2

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCNCCN)N2C(=S)N=NN2

InChI

InChI=1S/C12H17N7OS/c13-5-7-14-6-4-11(20)15-9-2-1-3-10(8-9)19-12(21)16-17-18-19/h1-3,8,14H,4-7,13H2,(H,15,20)(H,16,18,21)